2-cyclobutyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide

C20H21N5O4 — CID 126784378

IUPAC2-cyclobutyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)Cn2cc(NC(=O)c3coc(C4CCC4)n3)cn2)cc1
InChIInChI=1S/C20H21N5O4/c1-28-16-7-5-14(6-8-16)22-18(26)11-25-10-15(9-21-25)23-19(27)17-12-29-20(24-17)13-3-2-4-13/h5-10,12-13H,2-4,11H2,1H3,(H,22,26)(H,23,27)
InChIKeyXVTOGSWUJCNQTN-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.04
Rot. Bonds7

About 2-cyclobutyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide

2-cyclobutyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 126784378) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-cyclobutyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
PubChem CID126784378
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name2-cyclobutyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)Cn2cc(NC(=O)c3coc(C4CCC4)n3)cn2)cc1
InChIInChI=1S/C20H21N5O4/c1-28-16-7-5-14(6-8-16)22-18(26)11-25-10-15(9-21-25)23-19(27)17-12-29-20(24-17)13-3-2-4-13/h5-10,12-13H,2-4,11H2,1H3,(H,22,26)(H,23,27)
InChIKeyXVTOGSWUJCNQTN-UHFFFAOYSA-N
XLogP3.04
TPSA111.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3857041
N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 49214206
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybenzamide
CID 49055659
N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride
CID 119309115
N',N'-diethyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]pentanediamide
CID 56521772
2-amino-3-methoxy-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]propanamide;hydrochloride
CID 120988056
N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-2-naphthalen-2-ylacetamide
CID 49214185
N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119309091
2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]pyrazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 49214142
N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3868746
N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]-4-methoxybenzamide
CID 90622553
2-(1-aminopentyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 3859480

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-cyclobutyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide (CID 126784378) is 2-cyclobutyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-cyclobutyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-cyclobutyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide is COc1ccc(NC(=O)Cn2cc(NC(=O)c3coc(C4CCC4)n3)cn2)cc1.
What is the InChIKey of 2-cyclobutyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is XVTOGSWUJCNQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-28-16-7-5-14(6-8-16)22-18(26)11-25-10-15(9-21-25)23-19(27)17-12-29-20(24-17)13-3-2-4-13/h5-10,12-13H,2-4,11H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 2-cyclobutyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
2-cyclobutyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 126784378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).