3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide

C28H28N2O3 — CID 25472531

IUPAC3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C28H28N2O3/c1-19-14-15-24(32-3)23(18-19)20(2)29-25(31)16-17-26-30-27(21-10-6-4-7-11-21)28(33-26)22-12-8-5-9-13-22/h4-15,18,20H,16-17H2,1-3H3,(H,29,31)/t20-/m1/s1
InChIKeyBPFAZPBQHQXHGR-HXUWFJFHSA-N
MW440.54 g/mol
LogP6.14
Rot. Bonds8

About 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide

3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide (PubChem CID 25472531) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
PubChem CID25472531
Molecular FormulaC28H28N2O3
Molecular Weight440.54 g/mol
Exact Mass440.21
IUPAC Name3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C28H28N2O3/c1-19-14-15-24(32-3)23(18-19)20(2)29-25(31)16-17-26-30-27(21-10-6-4-7-11-21)28(33-26)22-12-8-5-9-13-22/h4-15,18,20H,16-17H2,1-3H3,(H,29,31)/t20-/m1/s1
InChIKeyBPFAZPBQHQXHGR-HXUWFJFHSA-N
XLogP6.14
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 26082693
N-(3,4-dimethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 18271983
3-(2-ethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 9264272
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 43039542
N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 37459895
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 51220442
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 9264410
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 9264412
N-[(1R)-1-(4-cyanophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 38648352
N-[1-(2-methoxyphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 43017189
3-[5-(2-fluorophenyl)furan-2-yl]-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 18282783
6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid
CID 60940420

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide (CID 25472531) is 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide is COc1ccc(C)cc1[C@@H](C)NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide?
The InChIKey is BPFAZPBQHQXHGR-HXUWFJFHSA-N. The full InChI is InChI=1S/C28H28N2O3/c1-19-14-15-24(32-3)23(18-19)20(2)29-25(31)16-17-26-30-27(21-10-6-4-7-11-21)28(33-26)22-12-8-5-9-13-22/h4-15,18,20H,16-17H2,1-3H3,(H,29,31)/t20-/m1/s1.
What are the key properties of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide?
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide has a molecular weight of 440.54 g/mol, XLogP of 6.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 25472531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).