N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide

C17H17N5O2 — CID 122566735

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
SMILESCc1[nH]c(-c2ccccc2)nc1C(=O)NCc1nc(C2CC2)no1
InChIInChI=1S/C17H17N5O2/c1-10-14(21-15(19-10)11-5-3-2-4-6-11)17(23)18-9-13-20-16(22-24-13)12-7-8-12/h2-6,12H,7-9H2,1H3,(H,18,23)(H,19,21)
InChIKeyKERFHHJMZBCPND-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.58
Rot. Bonds5

About N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide (PubChem CID 122566735) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
PubChem CID122566735
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
SMILESCc1[nH]c(-c2ccccc2)nc1C(=O)NCc1nc(C2CC2)no1
InChIInChI=1S/C17H17N5O2/c1-10-14(21-15(19-10)11-5-3-2-4-6-11)17(23)18-9-13-20-16(22-24-13)12-7-8-12/h2-6,12H,7-9H2,1H3,(H,18,23)(H,19,21)
InChIKeyKERFHHJMZBCPND-UHFFFAOYSA-N
XLogP2.58
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylsulfanylphenyl)benzamide
CID 118787519
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 135117057
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methyl-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)acetamide
CID 166194932
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 131920932
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide
CID 131909757
(E)-3-(2-chlorophenyl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]but-2-enamide
CID 98476326
2-phenoxy-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 121021978
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-hydroxy-3-phenylpropyl)-1-methylurea
CID 122561757
(2R)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylmorpholine-4-carboxamide
CID 96562539
2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide
CID 47063305
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide
CID 135101820
(3S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenoxypyrrolidine-1-carboxamide
CID 125443249

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide (CID 122566735) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide is Cc1[nH]c(-c2ccccc2)nc1C(=O)NCc1nc(C2CC2)no1.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide?
The InChIKey is KERFHHJMZBCPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-10-14(21-15(19-10)11-5-3-2-4-6-11)17(23)18-9-13-20-16(22-24-13)12-7-8-12/h2-6,12H,7-9H2,1H3,(H,18,23)(H,19,21).
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 122566735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).