5-[(2-methylbenzimidazol-1-yl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide

C17H15N5O3 — CID 42595216

IUPAC5-[(2-methylbenzimidazol-1-yl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCc1nc2ccccc2n1Cc1cc(C(=O)NCc2ccon2)no1
InChIInChI=1S/C17H15N5O3/c1-11-19-14-4-2-3-5-16(14)22(11)10-13-8-15(21-25-13)17(23)18-9-12-6-7-24-20-12/h2-8H,9-10H2,1H3,(H,18,23)
InChIKeyANOXGNUAHDSURI-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.30
Rot. Bonds5

About 5-[(2-methylbenzimidazol-1-yl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide

5-[(2-methylbenzimidazol-1-yl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 42595216) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is 5-[(2-methylbenzimidazol-1-yl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-methylbenzimidazol-1-yl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID42595216
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC Name5-[(2-methylbenzimidazol-1-yl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCc1nc2ccccc2n1Cc1cc(C(=O)NCc2ccon2)no1
InChIInChI=1S/C17H15N5O3/c1-11-19-14-4-2-3-5-16(14)22(11)10-13-8-15(21-25-13)17(23)18-9-12-6-7-24-20-12/h2-8H,9-10H2,1H3,(H,18,23)
InChIKeyANOXGNUAHDSURI-UHFFFAOYSA-N
XLogP2.30
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2-methylbenzimidazol-1-yl)methyl]-N-[(2S)-1-pyridin-4-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 95222262
5-(furan-2-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 110309358
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone
CID 45246459
5-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 62374387
3-amino-N-(1,2-oxazol-3-ylmethyl)naphthalene-2-carboxamide
CID 81171002
5-[(4-hydroxypiperidin-1-yl)methyl]-N-(quinolin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56721841
4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63577924
3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-5-carboxamide
CID 46519962
3-[(2-methylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid
CID 43244444
2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylbenzimidazol-1-yl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2-methylbenzimidazol-1-yl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide (CID 42595216) is 5-[(2-methylbenzimidazol-1-yl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2-methylbenzimidazol-1-yl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2-methylbenzimidazol-1-yl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide is Cc1nc2ccccc2n1Cc1cc(C(=O)NCc2ccon2)no1.
What is the InChIKey of 5-[(2-methylbenzimidazol-1-yl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is ANOXGNUAHDSURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-11-19-14-4-2-3-5-16(14)22(11)10-13-8-15(21-25-13)17(23)18-9-12-6-7-24-20-12/h2-8H,9-10H2,1H3,(H,18,23).
What are the key properties of 5-[(2-methylbenzimidazol-1-yl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[(2-methylbenzimidazol-1-yl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 337.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylbenzimidazol-1-yl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42595216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).