4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide

C14H13N5O2 — CID 71691428

IUPAC4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)Nc1ccc(-n2ccnc2C)cc1
InChIInChI=1S/C14H13N5O2/c1-9-13(18-21-17-9)14(20)16-11-3-5-12(6-4-11)19-8-7-15-10(19)2/h3-8H,1-2H3,(H,16,20)
InChIKeyCNVKVWUYLJDBSW-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.12
Rot. Bonds3

About 4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide

4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 71691428) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID71691428
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)Nc1ccc(-n2ccnc2C)cc1
InChIInChI=1S/C14H13N5O2/c1-9-13(18-21-17-9)14(20)16-11-3-5-12(6-4-11)19-8-7-15-10(19)2/h3-8H,1-2H3,(H,16,20)
InChIKeyCNVKVWUYLJDBSW-UHFFFAOYSA-N
XLogP2.12
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]furan-2-carboxamide
CID 35537106
N-[4-(2-methylimidazol-1-yl)phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 35532104
1-ethyl-3,6-dimethyl-N-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 35533776
2-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 110277610
5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2-oxazole-3-carboxamide
CID 90565097
5-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19916014
6-cyclopropyl-1,3-dimethyl-N-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 39855230
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43907556
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylpyridine-2-carboxamide
CID 166215509
N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 122301114
3-(2-methoxyethyl)-6-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949952
N-[4-(2-ethylimidazol-1-yl)phenyl]-4-methylbenzamide
CID 12797145

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide (CID 71691428) is 4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)Nc1ccc(-n2ccnc2C)cc1.
What is the InChIKey of 4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is CNVKVWUYLJDBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-9-13(18-21-17-9)14(20)16-11-3-5-12(6-4-11)19-8-7-15-10(19)2/h3-8H,1-2H3,(H,16,20).
What are the key properties of 4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 71691428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).