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

C14H12N4O2 — CID 81251766

IUPACN-(2-cyclopropyl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide
SMILESO=C(Nc1ccc2oc(C3CC3)nc2c1)n1ccnc1
InChIInChI=1S/C14H12N4O2/c19-14(18-6-5-15-8-18)16-10-3-4-12-11(7-10)17-13(20-12)9-1-2-9/h3-9H,1-2H2,(H,16,19)
InChIKeyZTINPNRWMYITBY-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.98
Rot. Bonds2

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

N-(2-cyclopropyl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide (PubChem CID 81251766) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide
PubChem CID81251766
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide
SMILESO=C(Nc1ccc2oc(C3CC3)nc2c1)n1ccnc1
InChIInChI=1S/C14H12N4O2/c19-14(18-6-5-15-8-18)16-10-3-4-12-11(7-10)17-13(20-12)9-1-2-9/h3-9H,1-2H2,(H,16,19)
InChIKeyZTINPNRWMYITBY-UHFFFAOYSA-N
XLogP2.98
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-propan-2-yl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide
CID 81257574
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide
CID 60865852
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 71941676
(3S)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-sulfamoylpyrrolidine-1-carboxamide
CID 96542793
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea
CID 71940384
1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea
CID 71895854
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119290775
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-pyrazol-1-ylbutanamide
CID 47084365
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119726041
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(prop-2-enylamino)acetamide
CID 79285004
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(prop-2-ynylamino)acetamide
CID 79287727
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-nitrocyclopropane-1-carboxamide
CID 51117633

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide?
The IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide (CID 81251766) is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide is O=C(Nc1ccc2oc(C3CC3)nc2c1)n1ccnc1.
What is the InChIKey of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide?
The InChIKey is ZTINPNRWMYITBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c19-14(18-6-5-15-8-18)16-10-3-4-12-11(7-10)17-13(20-12)9-1-2-9/h3-9H,1-2H2,(H,16,19).
What are the key properties of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide?
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide is sourced from PubChem (CID 81251766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).