N-(5-chloro-1-ethylbenzimidazol-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

C15H15ClN4O2 — CID 84594039

IUPACN-(5-chloro-1-ethylbenzimidazol-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCCn1c(NC(=O)c2oc(C)nc2C)nc2cc(Cl)ccc21
InChIInChI=1S/C15H15ClN4O2/c1-4-20-12-6-5-10(16)7-11(12)18-15(20)19-14(21)13-8(2)17-9(3)22-13/h5-7H,4H2,1-3H3,(H,18,19,21)
InChIKeyVWTUVVASMHZRKA-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.57
Rot. Bonds3

About N-(5-chloro-1-ethylbenzimidazol-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-(5-chloro-1-ethylbenzimidazol-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 84594039) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is N-(5-chloro-1-ethylbenzimidazol-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-1-ethylbenzimidazol-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID84594039
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC NameN-(5-chloro-1-ethylbenzimidazol-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCCn1c(NC(=O)c2oc(C)nc2C)nc2cc(Cl)ccc21
InChIInChI=1S/C15H15ClN4O2/c1-4-20-12-6-5-10(16)7-11(12)18-15(20)19-14(21)13-8(2)17-9(3)22-13/h5-7H,4H2,1-3H3,(H,18,19,21)
InChIKeyVWTUVVASMHZRKA-UHFFFAOYSA-N
XLogP3.57
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethyl-2-methylindol-5-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 131932657
N-(5-chloro-2-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113446
5-chloro-1-ethylbenzimidazole-2-carboxylic acid
CID 130659632
2,4-dimethyl-N-(1-methylbenzimidazol-2-yl)-1,3-oxazole-5-carboxamide
CID 10333328
5-chloro-N-(1-ethylbenzimidazol-2-yl)-2-methoxybenzamide
CID 27898030
(5R)-N-(5-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 124884339
5-chloro-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine
CID 86794365
N-(3-chloro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 4142231
N-[2-(4-chlorophenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684838
N-(1-ethylbenzimidazol-2-yl)-6-methylpyridine-2-carboxamide
CID 46540923
ethyl 2-(5-chloro-1-ethylbenzimidazol-2-yl)propanoate
CID 79474797
2-(5-chloro-1-ethylbenzimidazol-2-yl)benzene-1,3-diol
CID 136813261

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1-ethylbenzimidazol-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(5-chloro-1-ethylbenzimidazol-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 84594039) is N-(5-chloro-1-ethylbenzimidazol-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-1-ethylbenzimidazol-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(5-chloro-1-ethylbenzimidazol-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is CCn1c(NC(=O)c2oc(C)nc2C)nc2cc(Cl)ccc21.
What is the InChIKey of N-(5-chloro-1-ethylbenzimidazol-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is VWTUVVASMHZRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c1-4-20-12-6-5-10(16)7-11(12)18-15(20)19-14(21)13-8(2)17-9(3)22-13/h5-7H,4H2,1-3H3,(H,18,19,21).
What are the key properties of N-(5-chloro-1-ethylbenzimidazol-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(5-chloro-1-ethylbenzimidazol-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 318.76 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1-ethylbenzimidazol-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 84594039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).