N-[1-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C15H16N4O2 — CID 3602976

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H16N4O2/c1-8-13(10(3)21-19-8)15(20)16-9(2)14-17-11-6-4-5-7-12(11)18-14/h4-7,9H,1-3H3,(H,16,20)(H,17,18)
InChIKeyWIUFUTURVKYRAT-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.66
Rot. Bonds3

About N-[1-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 3602976) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID3602976
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H16N4O2/c1-8-13(10(3)21-19-8)15(20)16-9(2)14-17-11-6-4-5-7-12(11)18-14/h4-7,9H,1-3H3,(H,16,20)(H,17,18)
InChIKeyWIUFUTURVKYRAT-UHFFFAOYSA-N
XLogP2.66
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 3602976) is N-[1-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NC(C)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is WIUFUTURVKYRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-8-13(10(3)21-19-8)15(20)16-9(2)14-17-11-6-4-5-7-12(11)18-14/h4-7,9H,1-3H3,(H,16,20)(H,17,18).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 3602976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).