2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide

C18H23N3O3 — CID 50808963

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCCC2c2c(C)noc2C)c1
InChIInChI=1S/C18H23N3O3/c1-12-17(13(2)24-20-12)16-8-5-9-21(16)18(22)19-11-14-6-4-7-15(10-14)23-3/h4,6-7,10,16H,5,8-9,11H2,1-3H3,(H,19,22)
InChIKeyHEVGYQKKVMFTNF-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.35
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 50808963) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
PubChem CID50808963
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCCC2c2c(C)noc2C)c1
InChIInChI=1S/C18H23N3O3/c1-12-17(13(2)24-20-12)16-8-5-9-21(16)18(22)19-11-14-6-4-7-15(10-14)23-3/h4,6-7,10,16H,5,8-9,11H2,1-3H3,(H,19,22)
InChIKeyHEVGYQKKVMFTNF-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3686576
N-(Butan-2-YL)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 4518585
N-cyclopentyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3242382
N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-ethyl-5-methyl-N-o-anisyl-isoxazole-4-carboxamide
CID 24687483
1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 168271655
US10343992, Example 221
CID 122590572
US11014912, Example 37
CID 134400304
US11014912, Example 43
CID 153311696
3-{1-[3-(3,5-dimethyl-4-isoxazolyl)propanoyl]-3-piperidinyl}-N-(3-methoxybenzyl)propanamide
CID 16190914
(2S)-1-(3,5-Dimethyl-1,2-oxazole-4-carbonyl)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazine
CID 16671323
N-[2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2089472
N-[(3-isopropylisoxazol-5-yl)methyl]-2-[1-(3-methoxybenzyl)-3-oxopiperazin-2-yl]acetamide
CID 16189056

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide (CID 50808963) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide is COc1cccc(CNC(=O)N2CCCC2c2c(C)noc2C)c1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is HEVGYQKKVMFTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-17(13(2)24-20-12)16-8-5-9-21(16)18(22)19-11-14-6-4-7-15(10-14)23-3/h4,6-7,10,16H,5,8-9,11H2,1-3H3,(H,19,22).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 50808963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).