N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide

C21H24N4O2 — CID 75477436

IUPACN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2ccccc2)c1C(=O)Nc1cc(CC2CCCCC2)[nH]n1
InChIInChI=1S/C21H24N4O2/c1-14-19(20(27-25-14)16-10-6-3-7-11-16)21(26)22-18-13-17(23-24-18)12-15-8-4-2-5-9-15/h3,6-7,10-11,13,15H,2,4-5,8-9,12H2,1H3,(H2,22,23,24,26)
InChIKeyDXIIDRQYQCRHCE-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.75
Rot. Bonds5

About N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 75477436) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
PubChem CID75477436
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2ccccc2)c1C(=O)Nc1cc(CC2CCCCC2)[nH]n1
InChIInChI=1S/C21H24N4O2/c1-14-19(20(27-25-14)16-10-6-3-7-11-16)21(26)22-18-13-17(23-24-18)12-15-8-4-2-5-9-15/h3,6-7,10-11,13,15H,2,4-5,8-9,12H2,1H3,(H2,22,23,24,26)
InChIKeyDXIIDRQYQCRHCE-UHFFFAOYSA-N
XLogP4.75
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide (CID 75477436) is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide is Cc1noc(-c2ccccc2)c1C(=O)Nc1cc(CC2CCCCC2)[nH]n1.
What is the InChIKey of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is DXIIDRQYQCRHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-19(20(27-25-14)16-10-6-3-7-11-16)21(26)22-18-13-17(23-24-18)12-15-8-4-2-5-9-15/h3,6-7,10-11,13,15H,2,4-5,8-9,12H2,1H3,(H2,22,23,24,26).
What are the key properties of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide?
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 75477436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).