N-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide

C19H23N7O2 — CID 72931194

IUPACN-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide
SMILESCc1cc(C2CCCCN2C(=O)Nc2cc(-n3cnnn3)cc(C)c2C)no1
InChIInChI=1S/C19H23N7O2/c1-12-8-15(26-11-20-23-24-26)10-16(14(12)3)21-19(27)25-7-5-4-6-18(25)17-9-13(2)28-22-17/h8-11,18H,4-7H2,1-3H3,(H,21,27)
InChIKeyKMGXNGUIYPJDHE-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.33
Rot. Bonds3

About N-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide

N-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide (PubChem CID 72931194) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide
PubChem CID72931194
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC NameN-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide
SMILESCc1cc(C2CCCCN2C(=O)Nc2cc(-n3cnnn3)cc(C)c2C)no1
InChIInChI=1S/C19H23N7O2/c1-12-8-15(26-11-20-23-24-26)10-16(14(12)3)21-19(27)25-7-5-4-6-18(25)17-9-13(2)28-22-17/h8-11,18H,4-7H2,1-3H3,(H,21,27)
InChIKeyKMGXNGUIYPJDHE-UHFFFAOYSA-N
XLogP3.33
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

methyl 3-chloro-4-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]amino]benzoate
CID 97282371
(2S)-N-[3-(ethylcarbamoyl)-2-methylphenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 97276049
N-(2,4-difluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 53009661
cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
(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
cyclohexyl-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002506
(2S)-N-(4-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 94035214
2-(5-methyl-1,2-oxazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide
CID 118784987
(2R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95193932
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone
CID 92553808
N-(1,3-benzodioxol-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 50946008

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide (CID 72931194) is N-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide is Cc1cc(C2CCCCN2C(=O)Nc2cc(-n3cnnn3)cc(C)c2C)no1.
What is the InChIKey of N-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide?
The InChIKey is KMGXNGUIYPJDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-12-8-15(26-11-20-23-24-26)10-16(14(12)3)21-19(27)25-7-5-4-6-18(25)17-9-13(2)28-22-17/h8-11,18H,4-7H2,1-3H3,(H,21,27).
What are the key properties of N-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide?
N-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 72931194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).