(2R)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide

C18H23N3O3 — CID 92894338

IUPAC(2R)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCCc1onc(C)c1[C@H]1CCCN1C(=O)Nc1ccccc1OC
InChIInChI=1S/C18H23N3O3/c1-4-15-17(12(2)20-24-15)14-9-7-11-21(14)18(22)19-13-8-5-6-10-16(13)23-3/h5-6,8,10,14H,4,7,9,11H2,1-3H3,(H,19,22)/t14-/m1/s1
InChIKeyKHBCLXNXSAJHTO-CQSZACIVSA-N
MW329.40 g/mol
LogP3.92
Rot. Bonds4

About (2R)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide

(2R)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 92894338) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2R)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID92894338
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(2R)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCCc1onc(C)c1[C@H]1CCCN1C(=O)Nc1ccccc1OC
InChIInChI=1S/C18H23N3O3/c1-4-15-17(12(2)20-24-15)14-9-7-11-21(14)18(22)19-13-8-5-6-10-16(13)23-3/h5-6,8,10,14H,4,7,9,11H2,1-3H3,(H,19,22)/t14-/m1/s1
InChIKeyKHBCLXNXSAJHTO-CQSZACIVSA-N
XLogP3.92
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 47001829
2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-phenylpyrrolidine-1-carboxamide
CID 50808840
(2R)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 92894306
N-(4-bromophenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 50808695
N-(4-bromo-2-fluorophenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 50808694
(2S)-N-(4-bromo-2-fluorophenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92732732
(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 92878286
methyl 2-[[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]acetate
CID 92894383
(2R)-N-(3-chloro-4-methylphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92894316
1-[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 92893873
(2R)-N-(2-methoxyphenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95116632
(2S)-N-(2-methoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 94080897

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide (CID 92894338) is (2R)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide is CCc1onc(C)c1[C@H]1CCCN1C(=O)Nc1ccccc1OC.
What is the InChIKey of (2R)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is KHBCLXNXSAJHTO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-15-17(12(2)20-24-15)14-9-7-11-21(14)18(22)19-13-8-5-6-10-16(13)23-3/h5-6,8,10,14H,4,7,9,11H2,1-3H3,(H,19,22)/t14-/m1/s1.
What are the key properties of (2R)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide?
(2R)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 92894338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).