5-amino-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-piperidin-4-yl-1,2-oxazole-4-carboxamide;ethyl formate

C23H30N6O4 — CID 174460794

IUPAC5-amino-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-piperidin-4-yl-1,2-oxazole-4-carboxamide;ethyl formate
SMILESCCOC=O.Cc1nn(-c2ccccc2)c(C)c1-c1noc(N)c1C(=O)NC1CCNCC1
InChIInChI=1S/C20H24N6O2.C3H6O2/c1-12-16(13(2)26(24-12)15-6-4-3-5-7-15)18-17(19(21)28-25-18)20(27)23-14-8-10-22-11-9-14;1-2-5-3-4/h3-7,14,22H,8-11,21H2,1-2H3,(H,23,27);3H,2H2,1H3
InChIKeyPINXVOPEUSXZGZ-UHFFFAOYSA-N
MW454.53 g/mol
LogP2.39
Rot. Bonds6

About 5-amino-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-piperidin-4-yl-1,2-oxazole-4-carboxamide;ethyl formate

5-amino-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-piperidin-4-yl-1,2-oxazole-4-carboxamide;ethyl formate (PubChem CID 174460794) has the molecular formula C23H30N6O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is 5-amino-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-piperidin-4-yl-1,2-oxazole-4-carboxamide;ethyl formate.

Molecular Properties

Compound Name5-amino-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-piperidin-4-yl-1,2-oxazole-4-carboxamide;ethyl formate
PubChem CID174460794
Molecular FormulaC23H30N6O4
Molecular Weight454.53 g/mol
Exact Mass454.23
IUPAC Name5-amino-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-piperidin-4-yl-1,2-oxazole-4-carboxamide;ethyl formate
SMILESCCOC=O.Cc1nn(-c2ccccc2)c(C)c1-c1noc(N)c1C(=O)NC1CCNCC1
InChIInChI=1S/C20H24N6O2.C3H6O2/c1-12-16(13(2)26(24-12)15-6-4-3-5-7-15)18-17(19(21)28-25-18)20(27)23-14-8-10-22-11-9-14;1-2-5-3-4/h3-7,14,22H,8-11,21H2,1-2H3,(H,23,27);3H,2H2,1H3
InChIKeyPINXVOPEUSXZGZ-UHFFFAOYSA-N
XLogP2.39
TPSA137.30 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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CID 119424409
N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
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CID 142774020
5-methyl-3-phenyl-N-piperidin-3-yl-1,2-oxazole-4-carboxamide
CID 119427087
ethyl 4-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 6623485
3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 46566455
3,5-dimethyl-1-phenyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide
CID 119444997
N-(2-ethoxyethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 75461604
1-cyclopentyl-3-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]urea
CID 110747761
N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119382148

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-piperidin-4-yl-1,2-oxazole-4-carboxamide;ethyl formate?
The IUPAC name of 5-amino-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-piperidin-4-yl-1,2-oxazole-4-carboxamide;ethyl formate (CID 174460794) is 5-amino-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-piperidin-4-yl-1,2-oxazole-4-carboxamide;ethyl formate.
What is the SMILES notation for 5-amino-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-piperidin-4-yl-1,2-oxazole-4-carboxamide;ethyl formate?
The canonical SMILES for 5-amino-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-piperidin-4-yl-1,2-oxazole-4-carboxamide;ethyl formate is CCOC=O.Cc1nn(-c2ccccc2)c(C)c1-c1noc(N)c1C(=O)NC1CCNCC1.
What is the InChIKey of 5-amino-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-piperidin-4-yl-1,2-oxazole-4-carboxamide;ethyl formate?
The InChIKey is PINXVOPEUSXZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2.C3H6O2/c1-12-16(13(2)26(24-12)15-6-4-3-5-7-15)18-17(19(21)28-25-18)20(27)23-14-8-10-22-11-9-14;1-2-5-3-4/h3-7,14,22H,8-11,21H2,1-2H3,(H,23,27);3H,2H2,1H3.
What are the key properties of 5-amino-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-piperidin-4-yl-1,2-oxazole-4-carboxamide;ethyl formate?
5-amino-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-piperidin-4-yl-1,2-oxazole-4-carboxamide;ethyl formate has a molecular weight of 454.53 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-piperidin-4-yl-1,2-oxazole-4-carboxamide;ethyl formate is sourced from PubChem (CID 174460794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).