N-[(1R)-1-(3-benzamidophenyl)ethyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide

C21H21N3O3 — CID 31870185

IUPACN-[(1R)-1-(3-benzamidophenyl)ethyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)on1
InChIInChI=1S/C21H21N3O3/c1-14-12-19(27-23-14)21(26)24(3)15(2)17-10-7-11-18(13-17)22-20(25)16-8-5-4-6-9-16/h4-13,15H,1-3H3,(H,22,25)/t15-/m1/s1
InChIKeyKFDGQOJQWJCRDH-OAHLLOKOSA-N
MW363.42 g/mol
LogP4.07
Rot. Bonds5

About N-[(1R)-1-(3-benzamidophenyl)ethyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide

N-[(1R)-1-(3-benzamidophenyl)ethyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide (PubChem CID 31870185) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[(1R)-1-(3-benzamidophenyl)ethyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-benzamidophenyl)ethyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide
PubChem CID31870185
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[(1R)-1-(3-benzamidophenyl)ethyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)on1
InChIInChI=1S/C21H21N3O3/c1-14-12-19(27-23-14)21(26)24(3)15(2)17-10-7-11-18(13-17)22-20(25)16-8-5-4-6-9-16/h4-13,15H,1-3H3,(H,22,25)/t15-/m1/s1
InChIKeyKFDGQOJQWJCRDH-OAHLLOKOSA-N
XLogP4.07
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzamido-N-[1-(3-benzamidophenyl)ethyl]-N-methylbenzamide
CID 46537045
N-(3-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911458
N-[1-(3-benzamidophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 46514714
N-[(1R)-1-(3-benzamidophenyl)ethyl]-3-methoxy-N,4-dimethylbenzamide
CID 31870263
N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911460
N-[(1R)-1-(3-benzamidophenyl)ethyl]-N-methyl-3H-benzimidazole-5-carboxamide
CID 31869991
tert-butyl N-[3-[1-(3-benzamidophenyl)ethyl-methylcarbamoyl]phenyl]carbamate
CID 46533494
N-[1-(3-benzamidophenyl)ethyl]-N-methyl-3-nitrobenzamide
CID 46533511
N-[1-(3-benzamidophenyl)ethyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 46688011
N-[3-[1-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]ethyl]phenyl]benzamide
CID 46515509
N-[3-[(1S)-1-[cyclopentanecarbonyl(methyl)amino]ethyl]phenyl]benzamide
CID 51930710
N-[3-[1-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]-methylamino]ethyl]phenyl]benzamide
CID 46533575

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-benzamidophenyl)ethyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-(3-benzamidophenyl)ethyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide (CID 31870185) is N-[(1R)-1-(3-benzamidophenyl)ethyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-benzamidophenyl)ethyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-benzamidophenyl)ethyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)on1.
What is the InChIKey of N-[(1R)-1-(3-benzamidophenyl)ethyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide?
The InChIKey is KFDGQOJQWJCRDH-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14-12-19(27-23-14)21(26)24(3)15(2)17-10-7-11-18(13-17)22-20(25)16-8-5-4-6-9-16/h4-13,15H,1-3H3,(H,22,25)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(3-benzamidophenyl)ethyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide?
N-[(1R)-1-(3-benzamidophenyl)ethyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-benzamidophenyl)ethyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 31870185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).