N-(2-propan-2-yl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide

C14H14N4O2 — CID 81257574

IUPACN-(2-propan-2-yl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide
SMILESCC(C)c1nc2cc(NC(=O)n3ccnc3)ccc2o1
InChIInChI=1S/C14H14N4O2/c1-9(2)13-17-11-7-10(3-4-12(11)20-13)16-14(19)18-6-5-15-8-18/h3-9H,1-2H3,(H,16,19)
InChIKeyXJZUFGJHHRNUIS-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.23
Rot. Bonds2

About N-(2-propan-2-yl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide

N-(2-propan-2-yl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide (PubChem CID 81257574) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(2-propan-2-yl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-yl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide
PubChem CID81257574
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-(2-propan-2-yl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide
SMILESCC(C)c1nc2cc(NC(=O)n3ccnc3)ccc2o1
InChIInChI=1S/C14H14N4O2/c1-9(2)13-17-11-7-10(3-4-12(11)20-13)16-14(19)18-6-5-15-8-18/h3-9H,1-2H3,(H,16,19)
InChIKeyXJZUFGJHHRNUIS-UHFFFAOYSA-N
XLogP3.23
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclopropyl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide
CID 81251766
2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide
CID 43711177
3-amino-4-oxo-4-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 64895304
2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
CID 60843076
(2S,3S)-2-amino-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)pentanamide
CID 61179344
N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4-(tetrazol-1-yl)benzamide
CID 47026774
3-acetamido-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46401870
3,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46424516
1-(3-hydroxypropyl)-1-propan-2-yl-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea
CID 138013413
5-bromo-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
CID 60509237
(2R)-N-carbamoyl-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide
CID 34339582
N-[3-(imidazole-1-carbonylamino)-4-methylphenyl]imidazole-1-carboxamide
CID 690741

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide?
The IUPAC name of N-(2-propan-2-yl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide (CID 81257574) is N-(2-propan-2-yl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide.
What is the SMILES notation for N-(2-propan-2-yl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide?
The canonical SMILES for N-(2-propan-2-yl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide is CC(C)c1nc2cc(NC(=O)n3ccnc3)ccc2o1.
What is the InChIKey of N-(2-propan-2-yl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide?
The InChIKey is XJZUFGJHHRNUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-9(2)13-17-11-7-10(3-4-12(11)20-13)16-14(19)18-6-5-15-8-18/h3-9H,1-2H3,(H,16,19).
What are the key properties of N-(2-propan-2-yl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide?
N-(2-propan-2-yl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide is sourced from PubChem (CID 81257574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).