2-cyclopropyl-N-(2-imidazol-1-ylethyl)-1,3-benzoxazole-6-carboxamide

C16H16N4O2 — CID 25278720

IUPAC2-cyclopropyl-N-(2-imidazol-1-ylethyl)-1,3-benzoxazole-6-carboxamide
SMILESO=C(NCCn1ccnc1)c1ccc2nc(C3CC3)oc2c1
InChIInChI=1S/C16H16N4O2/c21-15(18-6-8-20-7-5-17-10-20)12-3-4-13-14(9-12)22-16(19-13)11-1-2-11/h3-5,7,9-11H,1-2,6,8H2,(H,18,21)
InChIKeyAFLVRRBJOWZBLC-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.33
Rot. Bonds5

About 2-cyclopropyl-N-(2-imidazol-1-ylethyl)-1,3-benzoxazole-6-carboxamide

2-cyclopropyl-N-(2-imidazol-1-ylethyl)-1,3-benzoxazole-6-carboxamide (PubChem CID 25278720) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2-imidazol-1-ylethyl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(2-imidazol-1-ylethyl)-1,3-benzoxazole-6-carboxamide
PubChem CID25278720
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-cyclopropyl-N-(2-imidazol-1-ylethyl)-1,3-benzoxazole-6-carboxamide
SMILESO=C(NCCn1ccnc1)c1ccc2nc(C3CC3)oc2c1
InChIInChI=1S/C16H16N4O2/c21-15(18-6-8-20-7-5-17-10-20)12-3-4-13-14(9-12)22-16(19-13)11-1-2-11/h3-5,7,9-11H,1-2,6,8H2,(H,18,21)
InChIKeyAFLVRRBJOWZBLC-UHFFFAOYSA-N
XLogP2.33
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-N-(2-imidazol-1-ylethyl)-1,3-benzoxazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclohexyl-N-(3-pyrazol-1-ylpropyl)-1,3-benzoxazole-6-carboxamide
CID 25382694
2-cyclopropyl-N-(pyrimidin-4-ylmethyl)-1,3-benzoxazole-6-carboxamide
CID 26318348
2-cyclopropyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 25454808
2-cyclohexyl-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1,3-benzoxazole-6-carboxamide
CID 72859517
2-cyclopropyl-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 42289150
2-amino-N-(2-imidazol-1-ylethyl)-1,3-benzothiazole-6-carboxamide
CID 65349253
4-chloro-N-(2-imidazol-1-ylethyl)benzamide
CID 47019718
4-bromo-N-(2-imidazol-1-ylethyl)-3-methylbenzamide
CID 112705775
4-fluoro-N-(2-imidazol-1-ylethyl)-3-sulfanylbenzamide
CID 107024935
N-(2-imidazol-1-ylethyl)-3-methyl-4-(methylamino)benzamide
CID 63213649
3,5-dibromo-N-(2-imidazol-1-ylethyl)benzamide
CID 103907789
N-(3-imidazol-1-ylpropyl)isoquinoline-6-carboxamide
CID 110485164

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(2-imidazol-1-ylethyl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(2-imidazol-1-ylethyl)-1,3-benzoxazole-6-carboxamide (CID 25278720) is 2-cyclopropyl-N-(2-imidazol-1-ylethyl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(2-imidazol-1-ylethyl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(2-imidazol-1-ylethyl)-1,3-benzoxazole-6-carboxamide is O=C(NCCn1ccnc1)c1ccc2nc(C3CC3)oc2c1.
What is the InChIKey of 2-cyclopropyl-N-(2-imidazol-1-ylethyl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is AFLVRRBJOWZBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-15(18-6-8-20-7-5-17-10-20)12-3-4-13-14(9-12)22-16(19-13)11-1-2-11/h3-5,7,9-11H,1-2,6,8H2,(H,18,21).
What are the key properties of 2-cyclopropyl-N-(2-imidazol-1-ylethyl)-1,3-benzoxazole-6-carboxamide?
2-cyclopropyl-N-(2-imidazol-1-ylethyl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2-imidazol-1-ylethyl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 25278720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).