(2S)-N-(2,5-dimethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

C17H21N3O4 — CID 94139306

IUPAC(2S)-N-(2,5-dimethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)N2CCC[C@H]2c2cc(C)no2)c1
InChIInChI=1S/C17H21N3O4/c1-11-9-16(24-19-11)14-5-4-8-20(14)17(21)18-13-10-12(22-2)6-7-15(13)23-3/h6-7,9-10,14H,4-5,8H2,1-3H3,(H,18,21)/t14-/m0/s1
InChIKeyJESJAKDNNNCLIC-AWEZNQCLSA-N
MW331.37 g/mol
LogP3.37
Rot. Bonds4

About (2S)-N-(2,5-dimethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

(2S)-N-(2,5-dimethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 94139306) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is (2S)-N-(2,5-dimethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,5-dimethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID94139306
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name(2S)-N-(2,5-dimethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)N2CCC[C@H]2c2cc(C)no2)c1
InChIInChI=1S/C17H21N3O4/c1-11-9-16(24-19-11)14-5-4-8-20(14)17(21)18-13-10-12(22-2)6-7-15(13)23-3/h6-7,9-10,14H,4-5,8H2,1-3H3,(H,18,21)/t14-/m0/s1
InChIKeyJESJAKDNNNCLIC-AWEZNQCLSA-N
XLogP3.37
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2-methoxy-5-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94139300
(2S)-N-(2,5-dimethoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079905
(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 93070315
N-(2,5-dimethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 47001829
(2R)-N-(2,5-dimethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856460
N-(2-methoxy-5-methylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 53096429
(2R)-N-(2,5-dimethoxyphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95079668
(2S)-N-(2,5-dimethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94138869
(2S)-N-(2-ethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94139767
(2,6-dimethoxyphenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731482
2-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51204890
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 93070340

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,5-dimethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(2,5-dimethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (CID 94139306) is (2S)-N-(2,5-dimethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(2,5-dimethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(2,5-dimethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is COc1ccc(OC)c(NC(=O)N2CCC[C@H]2c2cc(C)no2)c1.
What is the InChIKey of (2S)-N-(2,5-dimethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is JESJAKDNNNCLIC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-11-9-16(24-19-11)14-5-4-8-20(14)17(21)18-13-10-12(22-2)6-7-15(13)23-3/h6-7,9-10,14H,4-5,8H2,1-3H3,(H,18,21)/t14-/m0/s1.
What are the key properties of (2S)-N-(2,5-dimethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
(2S)-N-(2,5-dimethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,5-dimethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 94139306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).