[(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-phenylmethanone

C23H19NO3 — CID 7371850

IUPAC[(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-phenylmethanone
SMILESCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19NO3/c1-26-19-14-12-18(13-15-19)23-20(22(25)17-10-6-3-7-11-17)21(24-27-23)16-8-4-2-5-9-16/h2-15,20,23H,1H3/t20-,23-/m0/s1
InChIKeyXDYSAKLUNSNZRI-REWPJTCUSA-N
MW357.41 g/mol
LogP4.67
Rot. Bonds5

About [(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-phenylmethanone

[(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-phenylmethanone (PubChem CID 7371850) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is [(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-phenylmethanone
PubChem CID7371850
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name[(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-phenylmethanone
SMILESCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19NO3/c1-26-19-14-12-18(13-15-19)23-20(22(25)17-10-6-3-7-11-17)21(24-27-23)16-8-4-2-5-9-16/h2-15,20,23H,1H3/t20-,23-/m0/s1
InChIKeyXDYSAKLUNSNZRI-REWPJTCUSA-N
XLogP4.67
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid
CID 95988225
(4S,5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid
CID 95988226
(E)-1-[3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 11761126
[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]-phenylmethanone
CID 765186
(3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone
CID 10849287
[(4R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone
CID 12504152
(4-methoxyphenyl)-[(3R,4S)-2,3,5-triphenyl-3,4-dihydropyrazol-4-yl]methanone
CID 15197840
5-[3-(2,4-dimethoxyphenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl]-2-hydroxybenzoic acid
CID 127031679
phenyl-[5-phenyl-3-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazol-4-yl]methanone
CID 135897831
4-benzoyl-5-(4-methoxyphenyl)-1,3-dioxolan-2-one
CID 152983989
(4R,5R)-4-(4-methoxyphenyl)-5-nitro-3-phenyl-4,5-dihydro-1,2-oxazole
CID 14638130
(3S,4'R)-4'-benzoyl-3'-(4-methoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one
CID 7555041

Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-phenylmethanone?
The IUPAC name of [(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-phenylmethanone (CID 7371850) is [(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-phenylmethanone.
What is the SMILES notation for [(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-phenylmethanone?
The canonical SMILES for [(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-phenylmethanone is COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)c2ccccc2)cc1.
What is the InChIKey of [(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-phenylmethanone?
The InChIKey is XDYSAKLUNSNZRI-REWPJTCUSA-N. The full InChI is InChI=1S/C23H19NO3/c1-26-19-14-12-18(13-15-19)23-20(22(25)17-10-6-3-7-11-17)21(24-27-23)16-8-4-2-5-9-16/h2-15,20,23H,1H3/t20-,23-/m0/s1.
What are the key properties of [(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-phenylmethanone?
[(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-phenylmethanone has a molecular weight of 357.41 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-phenylmethanone is sourced from PubChem (CID 7371850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).