2-methyl-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-1H-imidazole-5-carboxamide

C19H16N4O2 — CID 50966787

IUPAC2-methyl-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc3nc(-c4ccccc4C)oc3c2)[nH]1
InChIInChI=1S/C19H16N4O2/c1-11-5-3-4-6-14(11)19-23-15-8-7-13(9-17(15)25-19)22-18(24)16-10-20-12(2)21-16/h3-10H,1-2H3,(H,20,21)(H,22,24)
InChIKeySHEIWNJHXDRWIK-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.09
Rot. Bonds3

About 2-methyl-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-1H-imidazole-5-carboxamide

2-methyl-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-1H-imidazole-5-carboxamide (PubChem CID 50966787) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-1H-imidazole-5-carboxamide
PubChem CID50966787
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name2-methyl-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc3nc(-c4ccccc4C)oc3c2)[nH]1
InChIInChI=1S/C19H16N4O2/c1-11-5-3-4-6-14(11)19-23-15-8-7-13(9-17(15)25-19)22-18(24)16-10-20-12(2)21-16/h3-10H,1-2H3,(H,20,21)(H,22,24)
InChIKeySHEIWNJHXDRWIK-UHFFFAOYSA-N
XLogP4.09
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-iodo-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]benzamide
CID 17362639
3-methoxy-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]benzamide
CID 9325948
N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-2-phenylacetamide
CID 9322566
2-methyl-N-naphthalen-2-yl-1H-imidazole-5-carboxamide
CID 110467556
2,3,4,5,6-pentafluoro-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4105266
2-(2-methylphenyl)-1,3-benzoxazole-6-carboxylic acid
CID 81357419
N-(3H-benzimidazol-5-yl)-2-methyl-1H-imidazole-5-carboxamide
CID 110467519
N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]butanamide
CID 952231
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-2-carboxamide
CID 135681250
2-(2-methylphenyl)-1,3-benzoxazol-6-amine
CID 6457922
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 869599
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-methylbenzamide
CID 739837

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of 2-methyl-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-1H-imidazole-5-carboxamide (CID 50966787) is 2-methyl-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-1H-imidazole-5-carboxamide is Cc1ncc(C(=O)Nc2ccc3nc(-c4ccccc4C)oc3c2)[nH]1.
What is the InChIKey of 2-methyl-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-1H-imidazole-5-carboxamide?
The InChIKey is SHEIWNJHXDRWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-11-5-3-4-6-14(11)19-23-15-8-7-13(9-17(15)25-19)22-18(24)16-10-20-12(2)21-16/h3-10H,1-2H3,(H,20,21)(H,22,24).
What are the key properties of 2-methyl-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-1H-imidazole-5-carboxamide?
2-methyl-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-1H-imidazole-5-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 50966787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).