N-[1-cyclohexyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane

C23H30N6O3 — CID 158415687

IUPACN-[1-cyclohexyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane
SMILESCC.CNC(=O)c1nn(C2CCCCC2)cc1NC(=O)c1coc(-c2ccnc(C)c2)n1
InChIInChI=1S/C21H24N6O3.C2H6/c1-13-10-14(8-9-23-13)21-25-17(12-30-21)19(28)24-16-11-27(15-6-4-3-5-7-15)26-18(16)20(29)22-2;1-2/h8-12,15H,3-7H2,1-2H3,(H,22,29)(H,24,28);1-2H3
InChIKeyGZWDPJGHZHHISL-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.38
Rot. Bonds5

About N-[1-cyclohexyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane

N-[1-cyclohexyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane (PubChem CID 158415687) has the molecular formula C23H30N6O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[1-cyclohexyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane.

Molecular Properties

Compound NameN-[1-cyclohexyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane
PubChem CID158415687
Molecular FormulaC23H30N6O3
Molecular Weight438.53 g/mol
Exact Mass438.24
IUPAC NameN-[1-cyclohexyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane
SMILESCC.CNC(=O)c1nn(C2CCCCC2)cc1NC(=O)c1coc(-c2ccnc(C)c2)n1
InChIInChI=1S/C21H24N6O3.C2H6/c1-13-10-14(8-9-23-13)21-25-17(12-30-21)19(28)24-16-11-27(15-6-4-3-5-7-15)26-18(16)20(29)22-2;1-2/h8-12,15H,3-7H2,1-2H3,(H,22,29)(H,24,28);1-2H3
InChIKeyGZWDPJGHZHHISL-UHFFFAOYSA-N
XLogP4.38
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-carbamoyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane
CID 161237860
N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 146599170
ethane;N-methyl-4-(methylamino)-1-(oxan-4-yl)pyrazole-3-carboxamide;2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbaldehyde
CID 177055778
N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 170240031
N-[6-(cyclohexylamino)-2-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 144883766
N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;hydrochloride
CID 171370329
N-[3-[(Z)-1-aminoprop-1-enyl]-1-cyclohexylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide
CID 134517536
N-(6-methoxy-2-propan-2-ylindazol-5-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 176724064
N-(3-carbamoyl-1-methylpyrazol-4-yl)-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 52913876
2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 138727494
tert-butyl N-[4-[4-[[1-(1-tert-butylazetidin-3-yl)-3-carbamoylpyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate
CID 155251057
N-[4-amino-5-(methyliminomethyl)-2-pyrrolidin-1-ylphenyl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 138457202

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane?
The IUPAC name of N-[1-cyclohexyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane (CID 158415687) is N-[1-cyclohexyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane.
What is the SMILES notation for N-[1-cyclohexyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane?
The canonical SMILES for N-[1-cyclohexyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane is CC.CNC(=O)c1nn(C2CCCCC2)cc1NC(=O)c1coc(-c2ccnc(C)c2)n1.
What is the InChIKey of N-[1-cyclohexyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane?
The InChIKey is GZWDPJGHZHHISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3.C2H6/c1-13-10-14(8-9-23-13)21-25-17(12-30-21)19(28)24-16-11-27(15-6-4-3-5-7-15)26-18(16)20(29)22-2;1-2/h8-12,15H,3-7H2,1-2H3,(H,22,29)(H,24,28);1-2H3.
What are the key properties of N-[1-cyclohexyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane?
N-[1-cyclohexyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane has a molecular weight of 438.53 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane is sourced from PubChem (CID 158415687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).