(2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide

C18H23N3O2 — CID 176940437

IUPAC(2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide
SMILESCC[C@H]1CCCN1C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1
InChIInChI=1S/C18H23N3O2/c1-4-15-6-5-9-21(15)18(22)20-14-8-7-12(2)16(10-14)17-19-13(3)11-23-17/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyQLBMGDXPGAMKKW-HNNXBMFYSA-N
MW313.40 g/mol
LogP4.36
Rot. Bonds3

About (2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide

(2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 176940437) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide
PubChem CID176940437
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide
SMILESCC[C@H]1CCCN1C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1
InChIInChI=1S/C18H23N3O2/c1-4-15-6-5-9-21(15)18(22)20-14-8-7-12(2)16(10-14)17-19-13(3)11-23-17/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyQLBMGDXPGAMKKW-HNNXBMFYSA-N
XLogP4.36
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide;molecular hydrogen
CID 176940436
1-[[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122087034
2-hydroxy-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 110016334
N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide
CID 128753344
4-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid
CID 61207094
(2R,6S)-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide
CID 128617710
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
4-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride
CID 97291407
3-cyclohexyl-1-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrazole-4-carboxamide
CID 127488638
3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 119818797
N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119818830
3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide;hydrochloride
CID 119343667

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide (CID 176940437) is (2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide is CC[C@H]1CCCN1C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1.
What is the InChIKey of (2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is QLBMGDXPGAMKKW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-15-6-5-9-21(15)18(22)20-14-8-7-12(2)16(10-14)17-19-13(3)11-23-17/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,20,22)/t15-/m0/s1.
What are the key properties of (2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide?
(2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 176940437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).