N-(1H-benzimidazol-2-yl)-2-propan-2-yl-1,3-oxazole-4-carboxamide

C14H14N4O2 — CID 73051895

IUPACN-(1H-benzimidazol-2-yl)-2-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)c1nc(C(=O)Nc2nc3ccccc3[nH]2)co1
InChIInChI=1S/C14H14N4O2/c1-8(2)13-15-11(7-20-13)12(19)18-14-16-9-5-3-4-6-10(9)17-14/h3-8H,1-2H3,(H2,16,17,18,19)
InChIKeyZJNNKJBUTXMWCK-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.93
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-2-propan-2-yl-1,3-oxazole-4-carboxamide

N-(1H-benzimidazol-2-yl)-2-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 73051895) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID73051895
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-(1H-benzimidazol-2-yl)-2-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)c1nc(C(=O)Nc2nc3ccccc3[nH]2)co1
InChIInChI=1S/C14H14N4O2/c1-8(2)13-15-11(7-20-13)12(19)18-14-16-9-5-3-4-6-10(9)17-14/h3-8H,1-2H3,(H2,16,17,18,19)
InChIKeyZJNNKJBUTXMWCK-UHFFFAOYSA-N
XLogP2.93
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-propan-2-yl-1,3-oxazole-4-carboxamide (CID 73051895) is N-(1H-benzimidazol-2-yl)-2-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-propan-2-yl-1,3-oxazole-4-carboxamide is CC(C)c1nc(C(=O)Nc2nc3ccccc3[nH]2)co1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is ZJNNKJBUTXMWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-8(2)13-15-11(7-20-13)12(19)18-14-16-9-5-3-4-6-10(9)17-14/h3-8H,1-2H3,(H2,16,17,18,19).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-propan-2-yl-1,3-oxazole-4-carboxamide?
N-(1H-benzimidazol-2-yl)-2-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 73051895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).