(4-methoxyphenyl)methyl (4S,5S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate

C24H21NO4 — CID 12044132

IUPAC(4-methoxyphenyl)methyl (4S,5S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate
SMILESCOc1ccc(COC(=O)[C@H]2OC(c3ccccc3)=N[C@H]2c2ccccc2)cc1
InChIInChI=1S/C24H21NO4/c1-27-20-14-12-17(13-15-20)16-28-24(26)22-21(18-8-4-2-5-9-18)25-23(29-22)19-10-6-3-7-11-19/h2-15,21-22H,16H2,1H3/t21-,22-/m0/s1
InChIKeyUOYILKXAGRDQKI-VXKWHMMOSA-N
MW387.44 g/mol
LogP4.33
Rot. Bonds6

About (4-methoxyphenyl)methyl (4S,5S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate

(4-methoxyphenyl)methyl (4S,5S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate (PubChem CID 12044132) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl (4S,5S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl (4S,5S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate
PubChem CID12044132
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name(4-methoxyphenyl)methyl (4S,5S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate
SMILESCOc1ccc(COC(=O)[C@H]2OC(c3ccccc3)=N[C@H]2c2ccccc2)cc1
InChIInChI=1S/C24H21NO4/c1-27-20-14-12-17(13-15-20)16-28-24(26)22-21(18-8-4-2-5-9-18)25-23(29-22)19-10-6-3-7-11-19/h2-15,21-22H,16H2,1H3/t21-,22-/m0/s1
InChIKeyUOYILKXAGRDQKI-VXKWHMMOSA-N
XLogP4.33
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methoxyphenyl)methyl (4S,5S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate 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

ethyl 2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate
CID 23561154
methyl (4S,5S)-2-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 14923484
methyl (4S)-4-benzyl-2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylate
CID 70260974
(4S,5R)-5-(methoxymethyl)-2,4-diphenyl-4,5-dihydro-1,3-oxazole
CID 10730547
cis-(1R,2S)-2-[(4-methoxyphenyl)methoxycarbonyl]cyclopropane-1-carboxylic acid
CID 166500685
(4R,5R)-2-(3-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 102576070
(4-methoxyphenyl)methyl phenyl carbonate
CID 3084543
benzyl (4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 46201142
(4-methoxyphenyl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 16578998
(4S,5S)-5-methyl-2,4-diphenyl-4,5-dihydro-1,3-oxazole
CID 13191729
benzyl 5-(5-bromo-1-methylpyrrol-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 139762765
(4-methoxyphenyl)methyl 3-phenylpropanoate
CID 23201626

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl (4S,5S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate?
The IUPAC name of (4-methoxyphenyl)methyl (4S,5S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate (CID 12044132) is (4-methoxyphenyl)methyl (4S,5S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate.
What is the SMILES notation for (4-methoxyphenyl)methyl (4S,5S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate?
The canonical SMILES for (4-methoxyphenyl)methyl (4S,5S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate is COc1ccc(COC(=O)[C@H]2OC(c3ccccc3)=N[C@H]2c2ccccc2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl (4S,5S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate?
The InChIKey is UOYILKXAGRDQKI-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H21NO4/c1-27-20-14-12-17(13-15-20)16-28-24(26)22-21(18-8-4-2-5-9-18)25-23(29-22)19-10-6-3-7-11-19/h2-15,21-22H,16H2,1H3/t21-,22-/m0/s1.
What are the key properties of (4-methoxyphenyl)methyl (4S,5S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate?
(4-methoxyphenyl)methyl (4S,5S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate has a molecular weight of 387.44 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl (4S,5S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 12044132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).