(3R,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3R,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine

C72H80N16O8 — CID 159828963

IUPAC(3R,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3R,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESCOc1ccc(-c2cncnc2)c2c1C[C@@]1(CC2)N=C(N)O[C@@H]1C.COc1ccc(-c2cncnc2)c2c1C[C@@]1(CC2)N=C(N)O[C@H]1C.COc1ccc(-c2cncnc2)c2c1C[C@]1(CC2)N=C(N)O[C@@H]1C.COc1ccc(-c2cncnc2)c2c1C[C@]1(CC2)N=C(N)O[C@H]1C
InChIInChI=1S/4C18H20N4O2/c4*1-11-18(22-17(19)24-11)6-5-14-13(12-8-20-10-21-9-12)3-4-16(23-2)15(14)7-18/h4*3-4,8-11H,5-7H2,1-2H3,(H2,19,22)/t2*11-,18+;2*11-,18-/m1010/s1
InChIKeyNNFBRHKXJOTNKU-IKUZKKJRSA-N
MW1297.54 g/mol
LogP8.45
Rot. Bonds8

About (3R,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3R,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine

(3R,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3R,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine (PubChem CID 159828963) has the molecular formula C72H80N16O8 and a molecular weight of 1297.54 g/mol. Its IUPAC name is (3R,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3R,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name(3R,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3R,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
PubChem CID159828963
Molecular FormulaC72H80N16O8
Molecular Weight1297.54 g/mol
Exact Mass1296.63
IUPAC Name(3R,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3R,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESCOc1ccc(-c2cncnc2)c2c1C[C@@]1(CC2)N=C(N)O[C@@H]1C.COc1ccc(-c2cncnc2)c2c1C[C@@]1(CC2)N=C(N)O[C@H]1C.COc1ccc(-c2cncnc2)c2c1C[C@]1(CC2)N=C(N)O[C@@H]1C.COc1ccc(-c2cncnc2)c2c1C[C@]1(CC2)N=C(N)O[C@H]1C
InChIInChI=1S/4C18H20N4O2/c4*1-11-18(22-17(19)24-11)6-5-14-13(12-8-20-10-21-9-12)3-4-16(23-2)15(14)7-18/h4*3-4,8-11H,5-7H2,1-2H3,(H2,19,22)/t2*11-,18+;2*11-,18-/m1010/s1
InChIKeyNNFBRHKXJOTNKU-IKUZKKJRSA-N
XLogP8.45
TPSA330.48 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds8
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001297.54
LogP ≤ 58.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze (3R,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3R,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-[1,5-Dimethoxy-4,8-di(pyrimidin-5-yl)naphthalen-2-yl]-4,8-dimethoxy-5-pyrimidin-5-ylnaphthalen-1-yl]pyrimidine
CID 57746046
(3S,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 58466663
5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
CID 58466672
(3R,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 58466687
5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 58466700
5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 58466725
(3R)-5-methoxy-2'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
CID 58466798
(3S,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 58466803
(3R)-5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 58466867
(3S,5'R)-5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
CID 58466932
8-methoxy-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 58466961
ethyl N-[(3S)-5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-yl]carbamate
CID 58466999

Frequently Asked Questions

What is the IUPAC name of (3R,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3R,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The IUPAC name of (3R,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3R,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine (CID 159828963) is (3R,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3R,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine.
What is the SMILES notation for (3R,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3R,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The canonical SMILES for (3R,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3R,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine is COc1ccc(-c2cncnc2)c2c1C[C@@]1(CC2)N=C(N)O[C@@H]1C.COc1ccc(-c2cncnc2)c2c1C[C@@]1(CC2)N=C(N)O[C@H]1C.COc1ccc(-c2cncnc2)c2c1C[C@]1(CC2)N=C(N)O[C@@H]1C.COc1ccc(-c2cncnc2)c2c1C[C@]1(CC2)N=C(N)O[C@H]1C.
What is the InChIKey of (3R,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3R,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The InChIKey is NNFBRHKXJOTNKU-IKUZKKJRSA-N. The full InChI is InChI=1S/4C18H20N4O2/c4*1-11-18(22-17(19)24-11)6-5-14-13(12-8-20-10-21-9-12)3-4-16(23-2)15(14)7-18/h4*3-4,8-11H,5-7H2,1-2H3,(H2,19,22)/t2*11-,18+;2*11-,18-/m1010/s1.
What are the key properties of (3R,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3R,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
(3R,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3R,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine has a molecular weight of 1297.54 g/mol, XLogP of 8.45, 8 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3R,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(3S,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 159828963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).