2-cyclohexyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide

C21H26N4O3 — CID 97284536

IUPAC2-cyclohexyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide
SMILESCOC[C@H](NC(=O)c1ccc2nc(C3CCCCC3)oc2c1)c1ccnn1C
InChIInChI=1S/C21H26N4O3/c1-25-18(10-11-22-25)17(13-27-2)23-20(26)15-8-9-16-19(12-15)28-21(24-16)14-6-4-3-5-7-14/h8-12,14,17H,3-7,13H2,1-2H3,(H,23,26)/t17-/m0/s1
InChIKeyOALCUAGGFKQUQS-KRWDZBQOSA-N
MW382.46 g/mol
LogP3.73
Rot. Bonds6

About 2-cyclohexyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide

2-cyclohexyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide (PubChem CID 97284536) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide
PubChem CID97284536
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-cyclohexyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide
SMILESCOC[C@H](NC(=O)c1ccc2nc(C3CCCCC3)oc2c1)c1ccnn1C
InChIInChI=1S/C21H26N4O3/c1-25-18(10-11-22-25)17(13-27-2)23-20(26)15-8-9-16-19(12-15)28-21(24-16)14-6-4-3-5-7-14/h8-12,14,17H,3-7,13H2,1-2H3,(H,23,26)/t17-/m0/s1
InChIKeyOALCUAGGFKQUQS-KRWDZBQOSA-N
XLogP3.73
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclohexyl-1,3-benzoxazole-6-carboxylic acid
CID 66771669
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylindole-6-carboxamide
CID 97198905
2-cyclohexyl-N-(3-pyrazol-1-ylpropyl)-1,3-benzoxazole-6-carboxamide
CID 25382694
2-cyclopropyl-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1,3-benzoxazole-6-carboxamide
CID 25301438
N-cyclopentyl-N'-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]butanediamide
CID 46995765
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 99948395
2-cyclohexyl-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1,3-benzoxazole-6-carboxamide
CID 72859517
5-cyclobutyl-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 97188149
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 91776008
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide
CID 95127513
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 135088798
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(6-methoxypyridazin-3-yl)benzamide
CID 125158366

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-cyclohexyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide (CID 97284536) is 2-cyclohexyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide is COC[C@H](NC(=O)c1ccc2nc(C3CCCCC3)oc2c1)c1ccnn1C.
What is the InChIKey of 2-cyclohexyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide?
The InChIKey is OALCUAGGFKQUQS-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-25-18(10-11-22-25)17(13-27-2)23-20(26)15-8-9-16-19(12-15)28-21(24-16)14-6-4-3-5-7-14/h8-12,14,17H,3-7,13H2,1-2H3,(H,23,26)/t17-/m0/s1.
What are the key properties of 2-cyclohexyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide?
2-cyclohexyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 97284536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).