(3S,5'R)-5'-methyl-8-(2-propan-2-ylpyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine

C20H24N4O — CID 58467312

IUPAC(3S,5'R)-5'-methyl-8-(2-propan-2-ylpyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESCC(C)c1ncc(-c2cccc3c2CC[C@@]2(C3)N=C(N)O[C@@H]2C)cn1
InChIInChI=1S/C20H24N4O/c1-12(2)18-22-10-15(11-23-18)16-6-4-5-14-9-20(8-7-17(14)16)13(3)25-19(21)24-20/h4-6,10-13H,7-9H2,1-3H3,(H2,21,24)/t13-,20+/m1/s1
InChIKeyFEFQAIOVHYQTAX-XCLFUZPHSA-N
MW336.44 g/mol
LogP3.23
Rot. Bonds2

About (3S,5'R)-5'-methyl-8-(2-propan-2-ylpyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine

(3S,5'R)-5'-methyl-8-(2-propan-2-ylpyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine (PubChem CID 58467312) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is (3S,5'R)-5'-methyl-8-(2-propan-2-ylpyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name(3S,5'R)-5'-methyl-8-(2-propan-2-ylpyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
PubChem CID58467312
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name(3S,5'R)-5'-methyl-8-(2-propan-2-ylpyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESCC(C)c1ncc(-c2cccc3c2CC[C@@]2(C3)N=C(N)O[C@@H]2C)cn1
InChIInChI=1S/C20H24N4O/c1-12(2)18-22-10-15(11-23-18)16-6-4-5-14-9-20(8-7-17(14)16)13(3)25-19(21)24-20/h4-6,10-13H,7-9H2,1-3H3,(H2,21,24)/t13-,20+/m1/s1
InChIKeyFEFQAIOVHYQTAX-XCLFUZPHSA-N
XLogP3.23
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,5'R)-5'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 58466886
(2R,5'R)-5'-methyl-4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
CID 58466740
(2R,5'R)-5'-methyl-4-(1H-pyrrol-3-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
CID 58467009
(2R,5'R)-5'-methyl-4-(3-methyl-4-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
CID 58466754
4-cyclopenta-1,4-dien-1-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
CID 91456304
8-(2-fluoro-4-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 76794791
5-[(4S)-2-aminospiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyridine-3-carbonitrile
CID 70228414
8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine
CID 58467250
(2R,5'R)-4-isoquinolin-4-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-isoquinolin-5-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-(6-methoxypyrazin-2-yl)-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(3-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(5-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyrazin-2-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyridin-3-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
CID 159027905
8'-pyridin-3-ylspiro[1,3-oxazolidine-5,3'-2,4-dihydro-1H-naphthalene]-2-amine
CID 123860567
8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 58467280
3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 58466662

Frequently Asked Questions

What is the IUPAC name of (3S,5'R)-5'-methyl-8-(2-propan-2-ylpyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The IUPAC name of (3S,5'R)-5'-methyl-8-(2-propan-2-ylpyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine (CID 58467312) is (3S,5'R)-5'-methyl-8-(2-propan-2-ylpyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine.
What is the SMILES notation for (3S,5'R)-5'-methyl-8-(2-propan-2-ylpyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The canonical SMILES for (3S,5'R)-5'-methyl-8-(2-propan-2-ylpyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine is CC(C)c1ncc(-c2cccc3c2CC[C@@]2(C3)N=C(N)O[C@@H]2C)cn1.
What is the InChIKey of (3S,5'R)-5'-methyl-8-(2-propan-2-ylpyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The InChIKey is FEFQAIOVHYQTAX-XCLFUZPHSA-N. The full InChI is InChI=1S/C20H24N4O/c1-12(2)18-22-10-15(11-23-18)16-6-4-5-14-9-20(8-7-17(14)16)13(3)25-19(21)24-20/h4-6,10-13H,7-9H2,1-3H3,(H2,21,24)/t13-,20+/m1/s1.
What are the key properties of (3S,5'R)-5'-methyl-8-(2-propan-2-ylpyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
(3S,5'R)-5'-methyl-8-(2-propan-2-ylpyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine has a molecular weight of 336.44 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5'R)-5'-methyl-8-(2-propan-2-ylpyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 58467312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).