(2S)-N-[3-(ethylcarbamoyl)-2-methylphenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide

C20H26N4O3 — CID 97276049

IUPAC(2S)-N-[3-(ethylcarbamoyl)-2-methylphenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide
SMILESCCNC(=O)c1cccc(NC(=O)N2CCCC[C@H]2c2cc(C)on2)c1C
InChIInChI=1S/C20H26N4O3/c1-4-21-19(25)15-8-7-9-16(14(15)3)22-20(26)24-11-6-5-10-18(24)17-12-13(2)27-23-17/h7-9,12,18H,4-6,10-11H2,1-3H3,(H,21,25)(H,22,26)/t18-/m0/s1
InChIKeyMTQBFDPEJSPSFX-SFHVURJKSA-N
MW370.45 g/mol
LogP3.80
Rot. Bonds4

About (2S)-N-[3-(ethylcarbamoyl)-2-methylphenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide

(2S)-N-[3-(ethylcarbamoyl)-2-methylphenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide (PubChem CID 97276049) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (2S)-N-[3-(ethylcarbamoyl)-2-methylphenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(ethylcarbamoyl)-2-methylphenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide
PubChem CID97276049
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name(2S)-N-[3-(ethylcarbamoyl)-2-methylphenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide
SMILESCCNC(=O)c1cccc(NC(=O)N2CCCC[C@H]2c2cc(C)on2)c1C
InChIInChI=1S/C20H26N4O3/c1-4-21-19(25)15-8-7-9-16(14(15)3)22-20(26)24-11-6-5-10-18(24)17-12-13(2)27-23-17/h7-9,12,18H,4-6,10-11H2,1-3H3,(H,21,25)(H,22,26)/t18-/m0/s1
InChIKeyMTQBFDPEJSPSFX-SFHVURJKSA-N
XLogP3.80
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2,3-dimethylphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95079611
N-(2,4-difluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 53009661
methyl 3-chloro-4-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]amino]benzoate
CID 97282371
N-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 72931194
(2S)-N-(4-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 94035214
cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
(2S)-2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-1-carboxamide
CID 125179035
2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-1-carboxamide
CID 118789446
(2R)-N-cyclohexyl-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070285
cyclohexyl-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002506
cyclohexyl-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002505
2-ethoxy-1-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone
CID 91760961

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(ethylcarbamoyl)-2-methylphenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of (2S)-N-[3-(ethylcarbamoyl)-2-methylphenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide (CID 97276049) is (2S)-N-[3-(ethylcarbamoyl)-2-methylphenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[3-(ethylcarbamoyl)-2-methylphenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-[3-(ethylcarbamoyl)-2-methylphenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide is CCNC(=O)c1cccc(NC(=O)N2CCCC[C@H]2c2cc(C)on2)c1C.
What is the InChIKey of (2S)-N-[3-(ethylcarbamoyl)-2-methylphenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide?
The InChIKey is MTQBFDPEJSPSFX-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-4-21-19(25)15-8-7-9-16(14(15)3)22-20(26)24-11-6-5-10-18(24)17-12-13(2)27-23-17/h7-9,12,18H,4-6,10-11H2,1-3H3,(H,21,25)(H,22,26)/t18-/m0/s1.
What are the key properties of (2S)-N-[3-(ethylcarbamoyl)-2-methylphenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide?
(2S)-N-[3-(ethylcarbamoyl)-2-methylphenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(ethylcarbamoyl)-2-methylphenyl]-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 97276049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).