(5-phenyl-1,2-oxazol-3-yl)methyl 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate

C26H21ClN2O4 — CID 55399477

IUPAC(5-phenyl-1,2-oxazol-3-yl)methyl 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
SMILESO=C(CC(NC(=O)c1ccccc1Cl)c1ccccc1)OCc1cc(-c2ccccc2)on1
InChIInChI=1S/C26H21ClN2O4/c27-22-14-8-7-13-21(22)26(31)28-23(18-9-3-1-4-10-18)16-25(30)32-17-20-15-24(33-29-20)19-11-5-2-6-12-19/h1-15,23H,16-17H2,(H,28,31)
InChIKeySUAFWZCLWVNRGR-UHFFFAOYSA-N
MW460.92 g/mol
LogP5.60
Rot. Bonds8

About (5-phenyl-1,2-oxazol-3-yl)methyl 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate

(5-phenyl-1,2-oxazol-3-yl)methyl 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate (PubChem CID 55399477) has the molecular formula C26H21ClN2O4 and a molecular weight of 460.92 g/mol. Its IUPAC name is (5-phenyl-1,2-oxazol-3-yl)methyl 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Name(5-phenyl-1,2-oxazol-3-yl)methyl 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
PubChem CID55399477
Molecular FormulaC26H21ClN2O4
Molecular Weight460.92 g/mol
Exact Mass460.12
IUPAC Name(5-phenyl-1,2-oxazol-3-yl)methyl 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
SMILESO=C(CC(NC(=O)c1ccccc1Cl)c1ccccc1)OCc1cc(-c2ccccc2)on1
InChIInChI=1S/C26H21ClN2O4/c27-22-14-8-7-13-21(22)26(31)28-23(18-9-3-1-4-10-18)16-25(30)32-17-20-15-24(33-29-20)19-11-5-2-6-12-19/h1-15,23H,16-17H2,(H,28,31)
InChIKeySUAFWZCLWVNRGR-UHFFFAOYSA-N
XLogP5.60
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.92
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-phenyl-1,2-oxazol-3-yl)methyl (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8807605
benzyl (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 7198296
(3,5-dimethyl-1,2-oxazol-4-yl)methyl (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 7870128
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-benzamido-3-phenylpropanoate
CID 55404439
(4-chlorophenyl) (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 7900869
cyanomethyl 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 42967927
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8849047
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8849048
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
CID 16869440
[2-oxo-2-(1-phenylethylamino)ethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 55306218
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
CID 16869944
(2-oxo-2-phenothiazin-10-ylethyl) 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 4043095

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate?
The IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate (CID 55399477) is (5-phenyl-1,2-oxazol-3-yl)methyl 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate.
What is the SMILES notation for (5-phenyl-1,2-oxazol-3-yl)methyl 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate?
The canonical SMILES for (5-phenyl-1,2-oxazol-3-yl)methyl 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate is O=C(CC(NC(=O)c1ccccc1Cl)c1ccccc1)OCc1cc(-c2ccccc2)on1.
What is the InChIKey of (5-phenyl-1,2-oxazol-3-yl)methyl 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate?
The InChIKey is SUAFWZCLWVNRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN2O4/c27-22-14-8-7-13-21(22)26(31)28-23(18-9-3-1-4-10-18)16-25(30)32-17-20-15-24(33-29-20)19-11-5-2-6-12-19/h1-15,23H,16-17H2,(H,28,31).
What are the key properties of (5-phenyl-1,2-oxazol-3-yl)methyl 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate?
(5-phenyl-1,2-oxazol-3-yl)methyl 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate has a molecular weight of 460.92 g/mol, XLogP of 5.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,2-oxazol-3-yl)methyl 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 55399477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).