N-[1-(4-methoxyphenyl)cyclohexyl]-5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carboxamide

C22H26N4O3 — CID 16672057

IUPACN-[1-(4-methoxyphenyl)cyclohexyl]-5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(C2(NC(=O)c3noc(C)c3Cn3cccn3)CCCCC2)cc1
InChIInChI=1S/C22H26N4O3/c1-16-19(15-26-14-6-13-23-26)20(25-29-16)21(27)24-22(11-4-3-5-12-22)17-7-9-18(28-2)10-8-17/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H,24,27)
InChIKeyXZLJDARPRGNZQU-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.83
Rot. Bonds6

About N-[1-(4-methoxyphenyl)cyclohexyl]-5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carboxamide

N-[1-(4-methoxyphenyl)cyclohexyl]-5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 16672057) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)cyclohexyl]-5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)cyclohexyl]-5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID16672057
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[1-(4-methoxyphenyl)cyclohexyl]-5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(C2(NC(=O)c3noc(C)c3Cn3cccn3)CCCCC2)cc1
InChIInChI=1S/C22H26N4O3/c1-16-19(15-26-14-6-13-23-26)20(25-29-16)21(27)24-22(11-4-3-5-12-22)17-7-9-18(28-2)10-8-17/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H,24,27)
InChIKeyXZLJDARPRGNZQU-UHFFFAOYSA-N
XLogP3.83
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)cyclohexyl]-5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)cyclohexyl]-5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carboxamide (CID 16672057) is N-[1-(4-methoxyphenyl)cyclohexyl]-5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)cyclohexyl]-5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)cyclohexyl]-5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carboxamide is COc1ccc(C2(NC(=O)c3noc(C)c3Cn3cccn3)CCCCC2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)cyclohexyl]-5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is XZLJDARPRGNZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-16-19(15-26-14-6-13-23-26)20(25-29-16)21(27)24-22(11-4-3-5-12-22)17-7-9-18(28-2)10-8-17/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H,24,27).
What are the key properties of N-[1-(4-methoxyphenyl)cyclohexyl]-5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carboxamide?
N-[1-(4-methoxyphenyl)cyclohexyl]-5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)cyclohexyl]-5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 16672057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).