2-(5-methyl-1,2-oxazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide

C20H21N3O4 — CID 118784987

IUPAC2-(5-methyl-1,2-oxazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide
SMILESCc1cc(C2CCCCN2C(=O)Nc2ccc3c(C)cc(=O)oc3c2)no1
InChIInChI=1S/C20H21N3O4/c1-12-9-19(24)26-18-11-14(6-7-15(12)18)21-20(25)23-8-4-3-5-17(23)16-10-13(2)27-22-16/h6-7,9-11,17H,3-5,8H2,1-2H3,(H,21,25)
InChIKeyDICRQDSTUFOJBL-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.16
Rot. Bonds2

About 2-(5-methyl-1,2-oxazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide

2-(5-methyl-1,2-oxazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide (PubChem CID 118784987) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-(5-methyl-1,2-oxazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(5-methyl-1,2-oxazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide
PubChem CID118784987
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-(5-methyl-1,2-oxazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide
SMILESCc1cc(C2CCCCN2C(=O)Nc2ccc3c(C)cc(=O)oc3c2)no1
InChIInChI=1S/C20H21N3O4/c1-12-9-19(24)26-18-11-14(6-7-15(12)18)21-20(25)23-8-4-3-5-17(23)16-10-13(2)27-22-16/h6-7,9-11,17H,3-5,8H2,1-2H3,(H,21,25)
InChIKeyDICRQDSTUFOJBL-UHFFFAOYSA-N
XLogP4.16
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide
CID 97270391
(2S)-N-(4-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 94035214
N-(1,3-benzodioxol-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 50946008
(2S)-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-oxo-1,3-dihydroindol-5-yl)pyrrolidine-1-carboxamide
CID 97444027
2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-1-carboxamide
CID 118789446
(2S)-2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-1-carboxamide
CID 125179035
N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide
CID 26878502
(2R)-2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-1-carboxamide
CID 95157820
cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 74241052
(2R)-N-cyclohexyl-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070285
cyclohexyl-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002505

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide?
The IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide (CID 118784987) is 2-(5-methyl-1,2-oxazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide.
What is the SMILES notation for 2-(5-methyl-1,2-oxazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide?
The canonical SMILES for 2-(5-methyl-1,2-oxazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide is Cc1cc(C2CCCCN2C(=O)Nc2ccc3c(C)cc(=O)oc3c2)no1.
What is the InChIKey of 2-(5-methyl-1,2-oxazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide?
The InChIKey is DICRQDSTUFOJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-12-9-19(24)26-18-11-14(6-7-15(12)18)21-20(25)23-8-4-3-5-17(23)16-10-13(2)27-22-16/h6-7,9-11,17H,3-5,8H2,1-2H3,(H,21,25).
What are the key properties of 2-(5-methyl-1,2-oxazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide?
2-(5-methyl-1,2-oxazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2-oxazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide is sourced from PubChem (CID 118784987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).