N-[(1R)-2-(benzylamino)-2-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide

C24H20N4O3 — CID 95738661

IUPACN-[(1R)-2-(benzylamino)-2-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
SMILESO=C(N[C@@H](C(=O)NCc1ccccc1)c1nnc(-c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C24H20N4O3/c29-21(18-12-6-2-7-13-18)26-20(22(30)25-16-17-10-4-1-5-11-17)24-28-27-23(31-24)19-14-8-3-9-15-19/h1-15,20H,16H2,(H,25,30)(H,26,29)/t20-/m0/s1
InChIKeyRZWJKSNQHNZFGN-FQEVSTJZSA-N
MW412.45 g/mol
LogP3.52
Rot. Bonds7

About N-[(1R)-2-(benzylamino)-2-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide

N-[(1R)-2-(benzylamino)-2-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide (PubChem CID 95738661) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[(1R)-2-(benzylamino)-2-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-2-(benzylamino)-2-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
PubChem CID95738661
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC NameN-[(1R)-2-(benzylamino)-2-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
SMILESO=C(N[C@@H](C(=O)NCc1ccccc1)c1nnc(-c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C24H20N4O3/c29-21(18-12-6-2-7-13-18)26-20(22(30)25-16-17-10-4-1-5-11-17)24-28-27-23(31-24)19-14-8-3-9-15-19/h1-15,20H,16H2,(H,25,30)(H,26,29)/t20-/m0/s1
InChIKeyRZWJKSNQHNZFGN-FQEVSTJZSA-N
XLogP3.52
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431714
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17475548
N-[(S)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 92711110
N-[2-oxo-1-phenyl-2-[[4-(phenylmethoxymethyl)phenyl]methylamino]ethyl]benzamide
CID 60553571
1-benzyl-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea
CID 29011530
N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]benzamide
CID 10107876
N-[(1S)-2-(furan-3-ylmethylamino)-2-oxo-1-phenylethyl]benzamide
CID 94062874
N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 92880072
4-ethoxy-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 46377580
N-[1-[(4-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 43010106
N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]furan-2-carboxamide
CID 92725599
N-[2-oxo-1-phenyl-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]benzamide
CID 55502593

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(benzylamino)-2-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
The IUPAC name of N-[(1R)-2-(benzylamino)-2-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide (CID 95738661) is N-[(1R)-2-(benzylamino)-2-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for N-[(1R)-2-(benzylamino)-2-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
The canonical SMILES for N-[(1R)-2-(benzylamino)-2-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide is O=C(N[C@@H](C(=O)NCc1ccccc1)c1nnc(-c2ccccc2)o1)c1ccccc1.
What is the InChIKey of N-[(1R)-2-(benzylamino)-2-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
The InChIKey is RZWJKSNQHNZFGN-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H20N4O3/c29-21(18-12-6-2-7-13-18)26-20(22(30)25-16-17-10-4-1-5-11-17)24-28-27-23(31-24)19-14-8-3-9-15-19/h1-15,20H,16H2,(H,25,30)(H,26,29)/t20-/m0/s1.
What are the key properties of N-[(1R)-2-(benzylamino)-2-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
N-[(1R)-2-(benzylamino)-2-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide has a molecular weight of 412.45 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(benzylamino)-2-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 95738661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).