2-cyclohexyl-N-(3-pyrazol-1-ylpropyl)-1,3-benzoxazole-6-carboxamide

C20H24N4O2 — CID 25382694

IUPAC2-cyclohexyl-N-(3-pyrazol-1-ylpropyl)-1,3-benzoxazole-6-carboxamide
SMILESO=C(NCCCn1cccn1)c1ccc2nc(C3CCCCC3)oc2c1
InChIInChI=1S/C20H24N4O2/c25-19(21-10-4-12-24-13-5-11-22-24)16-8-9-17-18(14-16)26-20(23-17)15-6-2-1-3-7-15/h5,8-9,11,13-15H,1-4,6-7,10,12H2,(H,21,25)
InChIKeyMUDPKYYAWSSRDC-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.89
Rot. Bonds6

About 2-cyclohexyl-N-(3-pyrazol-1-ylpropyl)-1,3-benzoxazole-6-carboxamide

2-cyclohexyl-N-(3-pyrazol-1-ylpropyl)-1,3-benzoxazole-6-carboxamide (PubChem CID 25382694) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-cyclohexyl-N-(3-pyrazol-1-ylpropyl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(3-pyrazol-1-ylpropyl)-1,3-benzoxazole-6-carboxamide
PubChem CID25382694
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-cyclohexyl-N-(3-pyrazol-1-ylpropyl)-1,3-benzoxazole-6-carboxamide
SMILESO=C(NCCCn1cccn1)c1ccc2nc(C3CCCCC3)oc2c1
InChIInChI=1S/C20H24N4O2/c25-19(21-10-4-12-24-13-5-11-22-24)16-8-9-17-18(14-16)26-20(23-17)15-6-2-1-3-7-15/h5,8-9,11,13-15H,1-4,6-7,10,12H2,(H,21,25)
InChIKeyMUDPKYYAWSSRDC-UHFFFAOYSA-N
XLogP3.89
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-imidazol-1-ylethyl)-1,3-benzoxazole-6-carboxamide
CID 25278720
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyclohexyl-1,3-benzoxazole-6-carboxamide
CID 42596394
2-cyclohexyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 97284536
3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332230
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-pyrazol-1-ylbutanamide
CID 47084365
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
N-(10-pyrazol-1-yldecyl)benzamide
CID 14662167
2-cyclopropyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 25454808
2-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]-1,3-oxazole-4-carboxamide
CID 71234139
2-cyclopropyl-N-(pyrimidin-4-ylmethyl)-1,3-benzoxazole-6-carboxamide
CID 26318348
2-cyclopropyl-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 42289150

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(3-pyrazol-1-ylpropyl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-cyclohexyl-N-(3-pyrazol-1-ylpropyl)-1,3-benzoxazole-6-carboxamide (CID 25382694) is 2-cyclohexyl-N-(3-pyrazol-1-ylpropyl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-(3-pyrazol-1-ylpropyl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-(3-pyrazol-1-ylpropyl)-1,3-benzoxazole-6-carboxamide is O=C(NCCCn1cccn1)c1ccc2nc(C3CCCCC3)oc2c1.
What is the InChIKey of 2-cyclohexyl-N-(3-pyrazol-1-ylpropyl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is MUDPKYYAWSSRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-19(21-10-4-12-24-13-5-11-22-24)16-8-9-17-18(14-16)26-20(23-17)15-6-2-1-3-7-15/h5,8-9,11,13-15H,1-4,6-7,10,12H2,(H,21,25).
What are the key properties of 2-cyclohexyl-N-(3-pyrazol-1-ylpropyl)-1,3-benzoxazole-6-carboxamide?
2-cyclohexyl-N-(3-pyrazol-1-ylpropyl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(3-pyrazol-1-ylpropyl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 25382694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).