3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C18H23N3O3 — CID 51471448

IUPAC3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCOc1cccc([C@@H]2CCCN2CCC(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C18H23N3O3/c1-13-11-17(20-24-13)19-18(22)8-10-21-9-4-7-16(21)14-5-3-6-15(12-14)23-2/h3,5-6,11-12,16H,4,7-10H2,1-2H3,(H,19,20,22)/t16-/m0/s1
InChIKeyHOOAKZSKMXCEGQ-INIZCTEOSA-N
MW329.40 g/mol
LogP3.16
Rot. Bonds6

About 3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 51471448) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID51471448
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCOc1cccc([C@@H]2CCCN2CCC(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C18H23N3O3/c1-13-11-17(20-24-13)19-18(22)8-10-21-9-4-7-16(21)14-5-3-6-15(12-14)23-2/h3,5-6,11-12,16H,4,7-10H2,1-2H3,(H,19,20,22)/t16-/m0/s1
InChIKeyHOOAKZSKMXCEGQ-INIZCTEOSA-N
XLogP3.16
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 100736736
3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid
CID 124688481
N-cyclohexyl-3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propanamide
CID 51313431
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propanamide
CID 95569827
N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide
CID 47011082
3-[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]propanoic acid
CID 95716440
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 24596121
N-(ethylcarbamoyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 41415749
methyl 4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylate
CID 95720331
N-(4-bromophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 55498802
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2R)-2-methylpiperidin-1-yl]propanamide
CID 39912480
N-(3-fluorophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51313328

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 51471448) is 3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is COc1cccc([C@@H]2CCCN2CCC(=O)Nc2cc(C)on2)c1.
What is the InChIKey of 3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is HOOAKZSKMXCEGQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-11-17(20-24-13)19-18(22)8-10-21-9-4-7-16(21)14-5-3-6-15(12-14)23-2/h3,5-6,11-12,16H,4,7-10H2,1-2H3,(H,19,20,22)/t16-/m0/s1.
What are the key properties of 3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 329.40 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 51471448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).