N-[2-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]-2-oxoethyl]-4-phenylbenzamide

C21H22N4O3 — CID 95786459

IUPACN-[2-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]-2-oxoethyl]-4-phenylbenzamide
SMILESCC[C@@H](NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)c1noc(C)n1
InChIInChI=1S/C21H22N4O3/c1-3-18(20-23-14(2)28-25-20)24-19(26)13-22-21(27)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,18H,3,13H2,1-2H3,(H,22,27)(H,24,26)/t18-/m1/s1
InChIKeyVHWOOZNELVLJFE-GOSISDBHSA-N
MW378.43 g/mol
LogP3.04
Rot. Bonds7

About N-[2-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]-2-oxoethyl]-4-phenylbenzamide

N-[2-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]-2-oxoethyl]-4-phenylbenzamide (PubChem CID 95786459) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[2-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]-2-oxoethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]-2-oxoethyl]-4-phenylbenzamide
PubChem CID95786459
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[2-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]-2-oxoethyl]-4-phenylbenzamide
SMILESCC[C@@H](NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)c1noc(C)n1
InChIInChI=1S/C21H22N4O3/c1-3-18(20-23-14(2)28-25-20)24-19(26)13-22-21(27)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,18H,3,13H2,1-2H3,(H,22,27)(H,24,26)/t18-/m1/s1
InChIKeyVHWOOZNELVLJFE-GOSISDBHSA-N
XLogP3.04
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]-2-oxoethyl]-4-phenylbenzamide with MolForge

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Related Compounds

1-N,4-N-bis[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzene-1,4-dicarboxamide
CID 166219715
3,5-dichloro-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide
CID 95786298
4-methyl-N-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]benzamide
CID 46578985
N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-9,10,10-trioxothioxanthene-3-carboxamide
CID 95786288
N-[2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-4-phenylbenzamide
CID 37019362
N-[1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 17328245
N-[2-(ethoxyamino)-2-oxoethyl]-4-phenylbenzamide
CID 18169121
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 111566580
(2S)-2-methyl-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]hexanamide
CID 100726211
1-[2-(1H-indol-2-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 71913106
N-[2-oxo-2-(prop-2-ynylamino)ethyl]-4-phenylbenzamide
CID 18156676
ethyl propanoate;2-[(4-phenylbenzoyl)amino]acetic acid
CID 143394399

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]-2-oxoethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]-2-oxoethyl]-4-phenylbenzamide (CID 95786459) is N-[2-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]-2-oxoethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]-2-oxoethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]-2-oxoethyl]-4-phenylbenzamide is CC[C@@H](NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)c1noc(C)n1.
What is the InChIKey of N-[2-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]-2-oxoethyl]-4-phenylbenzamide?
The InChIKey is VHWOOZNELVLJFE-GOSISDBHSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-3-18(20-23-14(2)28-25-20)24-19(26)13-22-21(27)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,18H,3,13H2,1-2H3,(H,22,27)(H,24,26)/t18-/m1/s1.
What are the key properties of N-[2-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]-2-oxoethyl]-4-phenylbenzamide?
N-[2-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]-2-oxoethyl]-4-phenylbenzamide has a molecular weight of 378.43 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]-2-oxoethyl]-4-phenylbenzamide is sourced from PubChem (CID 95786459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).