(4R,5S)-3-(4-methoxyphenyl)-5-methyl-4-phenyl-4,5-dihydro-1,2-oxazole

C17H17NO2 — CID 71398426

IUPAC(4R,5S)-3-(4-methoxyphenyl)-5-methyl-4-phenyl-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2=NO[C@@H](C)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C17H17NO2/c1-12-16(13-6-4-3-5-7-13)17(18-20-12)14-8-10-15(19-2)11-9-14/h3-12,16H,1-2H3/t12-,16+/m0/s1
InChIKeyDLCPQSMGGZZQDR-BLLLJJGKSA-N
MW267.33 g/mol
LogP3.60
Rot. Bonds3

About (4R,5S)-3-(4-methoxyphenyl)-5-methyl-4-phenyl-4,5-dihydro-1,2-oxazole

(4R,5S)-3-(4-methoxyphenyl)-5-methyl-4-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 71398426) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (4R,5S)-3-(4-methoxyphenyl)-5-methyl-4-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(4R,5S)-3-(4-methoxyphenyl)-5-methyl-4-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID71398426
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(4R,5S)-3-(4-methoxyphenyl)-5-methyl-4-phenyl-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2=NO[C@@H](C)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C17H17NO2/c1-12-16(13-6-4-3-5-7-13)17(18-20-12)14-8-10-15(19-2)11-9-14/h3-12,16H,1-2H3/t12-,16+/m0/s1
InChIKeyDLCPQSMGGZZQDR-BLLLJJGKSA-N
XLogP3.60
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R,5S)-3-(4-methoxyphenyl)-5-methyl-4-phenyl-4,5-dihydro-1,2-oxazole 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

4-[3-(4-hydroxyphenyl)-5-methyl-4,5-dihydro-1,2-oxazol-4-yl]phenol
CID 137099163
(4R,5R)-4-(4-methoxyphenyl)-5-nitro-3-phenyl-4,5-dihydro-1,2-oxazole
CID 14638130
methyl 3,4-bis(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 16640411
3-(4-methoxyphenyl)-5-phenyl-1,4,2-dioxazole
CID 590944
(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
(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
6-(4-methoxyphenyl)-5-methyl-3-phenyl-3a,7a-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 166635034
1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene
CID 134955785
(3aS,8bS)-3-(4-methoxyphenyl)-3a,8b-dihydro-[1]benzothiolo[2,3-d][1,2]oxazole
CID 100951293
[(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-phenylmethanone
CID 7371850
3-(2,6-dimethylphenyl)-7-(4-methoxyphenyl)-5-methyl-3a,7a-dihydro-[1,2]oxazolo[4,5-d]pyridazin-4-one
CID 5304279

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-(4-methoxyphenyl)-5-methyl-4-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of (4R,5S)-3-(4-methoxyphenyl)-5-methyl-4-phenyl-4,5-dihydro-1,2-oxazole (CID 71398426) is (4R,5S)-3-(4-methoxyphenyl)-5-methyl-4-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (4R,5S)-3-(4-methoxyphenyl)-5-methyl-4-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (4R,5S)-3-(4-methoxyphenyl)-5-methyl-4-phenyl-4,5-dihydro-1,2-oxazole is COc1ccc(C2=NO[C@@H](C)[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (4R,5S)-3-(4-methoxyphenyl)-5-methyl-4-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is DLCPQSMGGZZQDR-BLLLJJGKSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-16(13-6-4-3-5-7-13)17(18-20-12)14-8-10-15(19-2)11-9-14/h3-12,16H,1-2H3/t12-,16+/m0/s1.
What are the key properties of (4R,5S)-3-(4-methoxyphenyl)-5-methyl-4-phenyl-4,5-dihydro-1,2-oxazole?
(4R,5S)-3-(4-methoxyphenyl)-5-methyl-4-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 267.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-(4-methoxyphenyl)-5-methyl-4-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 71398426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).