(4S,5S)-2-(1,8-naphthyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole

C23H17N3O — CID 155289797

IUPAC(4S,5S)-2-(1,8-naphthyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@@H]2N=C(c3ccc4cccnc4n3)O[C@H]2c2ccccc2)cc1
InChIInChI=1S/C23H17N3O/c1-3-8-16(9-4-1)20-21(17-10-5-2-6-11-17)27-23(26-20)19-14-13-18-12-7-15-24-22(18)25-19/h1-15,20-21H/t20-,21-/m0/s1
InChIKeyJIAZQMUSVIVHCY-SFTDATJTSA-N
MW351.41 g/mol
LogP4.89
Rot. Bonds3

About (4S,5S)-2-(1,8-naphthyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole

(4S,5S)-2-(1,8-naphthyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole (PubChem CID 155289797) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is (4S,5S)-2-(1,8-naphthyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S,5S)-2-(1,8-naphthyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
PubChem CID155289797
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name(4S,5S)-2-(1,8-naphthyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@@H]2N=C(c3ccc4cccnc4n3)O[C@H]2c2ccccc2)cc1
InChIInChI=1S/C23H17N3O/c1-3-8-16(9-4-1)20-21(17-10-5-2-6-11-17)27-23(26-20)19-14-13-18-12-7-15-24-22(18)25-19/h1-15,20-21H/t20-,21-/m0/s1
InChIKeyJIAZQMUSVIVHCY-SFTDATJTSA-N
XLogP4.89
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S,5R)-2-(1,8-naphthyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 154729199
4,5-diphenyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole
CID 154729890
2-(1,8-naphthyridin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 154729036
(4R,5R)-4,5-diphenyl-2-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 102576068
4-tert-butyl-2-(1,8-naphthyridin-2-yl)-4,5-dihydro-1,3-oxazole
CID 154729884
2-(8-bromoimidazo[1,2-a]pyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 175539672
2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline
CID 11700037
2-(2-fluorophenyl)-1,8-naphthyridine
CID 3290795
[(4S,5R)-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol
CID 6937667
CID 177047265
CID 177047265
2-(triazin-4-yl)-1,8-naphthyridine
CID 175179815
(4S,5R)-2-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 59919120

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2-(1,8-naphthyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S,5S)-2-(1,8-naphthyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole (CID 155289797) is (4S,5S)-2-(1,8-naphthyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S,5S)-2-(1,8-naphthyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S,5S)-2-(1,8-naphthyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole is c1ccc([C@@H]2N=C(c3ccc4cccnc4n3)O[C@H]2c2ccccc2)cc1.
What is the InChIKey of (4S,5S)-2-(1,8-naphthyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is JIAZQMUSVIVHCY-SFTDATJTSA-N. The full InChI is InChI=1S/C23H17N3O/c1-3-8-16(9-4-1)20-21(17-10-5-2-6-11-17)27-23(26-20)19-14-13-18-12-7-15-24-22(18)25-19/h1-15,20-21H/t20-,21-/m0/s1.
What are the key properties of (4S,5S)-2-(1,8-naphthyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
(4S,5S)-2-(1,8-naphthyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 351.41 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2-(1,8-naphthyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 155289797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).