N-benzhydryl-3-methyl-1,2,4-oxadiazole-5-carboxamide

C17H15N3O2 — CID 29131381

IUPACN-benzhydryl-3-methyl-1,2,4-oxadiazole-5-carboxamide
SMILESCc1noc(C(=O)NC(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C17H15N3O2/c1-12-18-17(22-20-12)16(21)19-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,1H3,(H,19,21)
InChIKeySKBIXSXCNQSRHX-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.90
Rot. Bonds4

About N-benzhydryl-3-methyl-1,2,4-oxadiazole-5-carboxamide

N-benzhydryl-3-methyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 29131381) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-benzhydryl-3-methyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-3-methyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID29131381
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-benzhydryl-3-methyl-1,2,4-oxadiazole-5-carboxamide
SMILESCc1noc(C(=O)NC(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C17H15N3O2/c1-12-18-17(22-20-12)16(21)19-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,1H3,(H,19,21)
InChIKeySKBIXSXCNQSRHX-UHFFFAOYSA-N
XLogP2.90
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methyl-1,2,4-oxadiazole-5-carboxamide
CID 29135101
1-benzhydryl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea
CID 90607744
1-benzhydryl-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 71800484
N-benzhydryl-2,4-dimethylpyrimidine-5-carboxamide
CID 92648536
N-benzhydryl-6-methylpyrazine-2-carboxamide
CID 146075272
N-[(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-2-oxo-1H-quinoline-5-carboxamide
CID 166380609
1-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-3-(2-phenylethyl)urea
CID 94816108
3-[4-(dimethylamino)phenyl]-N-[(1R)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 96565129
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 51815176
N-benzhydryl-2,4,5-trimethylbenzamide
CID 100710488
3-amino-N-[(1R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]pyrazine-2-carboxamide
CID 129359034

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-methyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-benzhydryl-3-methyl-1,2,4-oxadiazole-5-carboxamide (CID 29131381) is N-benzhydryl-3-methyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-benzhydryl-3-methyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-benzhydryl-3-methyl-1,2,4-oxadiazole-5-carboxamide is Cc1noc(C(=O)NC(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of N-benzhydryl-3-methyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is SKBIXSXCNQSRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-12-18-17(22-20-12)16(21)19-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,1H3,(H,19,21).
What are the key properties of N-benzhydryl-3-methyl-1,2,4-oxadiazole-5-carboxamide?
N-benzhydryl-3-methyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-methyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 29131381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).