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

C18H19N3O2 — CID 58467047

IUPAC(3S)-5-methoxy-2'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
SMILESCOc1ccc(-c2cncnc2)c2c1C[C@@]1(CC2)COC(C)=N1
InChIInChI=1S/C18H19N3O2/c1-12-21-18(10-23-12)6-5-15-14(13-8-19-11-20-9-13)3-4-17(22-2)16(15)7-18/h3-4,8-9,11H,5-7,10H2,1-2H3/t18-/m0/s1
InChIKeyWTSNFNZQCXANIH-SFHVURJKSA-N
MW309.37 g/mol
LogP2.83
Rot. Bonds2

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

(3S)-5-methoxy-2'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] (PubChem CID 58467047) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (3S)-5-methoxy-2'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole].

Molecular Properties

Compound Name(3S)-5-methoxy-2'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
PubChem CID58467047
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(3S)-5-methoxy-2'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
SMILESCOc1ccc(-c2cncnc2)c2c1C[C@@]1(CC2)COC(C)=N1
InChIInChI=1S/C18H19N3O2/c1-12-21-18(10-23-12)6-5-15-14(13-8-19-11-20-9-13)3-4-17(22-2)16(15)7-18/h3-4,8-9,11H,5-7,10H2,1-2H3/t18-/m0/s1
InChIKeyWTSNFNZQCXANIH-SFHVURJKSA-N
XLogP2.83
TPSA56.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-methoxy-2'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
The IUPAC name of (3S)-5-methoxy-2'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] (CID 58467047) is (3S)-5-methoxy-2'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole].
What is the SMILES notation for (3S)-5-methoxy-2'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
The canonical SMILES for (3S)-5-methoxy-2'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] is COc1ccc(-c2cncnc2)c2c1C[C@@]1(CC2)COC(C)=N1.
What is the InChIKey of (3S)-5-methoxy-2'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
The InChIKey is WTSNFNZQCXANIH-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-21-18(10-23-12)6-5-15-14(13-8-19-11-20-9-13)3-4-17(22-2)16(15)7-18/h3-4,8-9,11H,5-7,10H2,1-2H3/t18-/m0/s1.
What are the key properties of (3S)-5-methoxy-2'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
(3S)-5-methoxy-2'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] has a molecular weight of 309.37 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-methoxy-2'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] is sourced from PubChem (CID 58467047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).