N-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-methylsulfonylpyrrolidine-2-carboxamide

C16H19N3O5S — CID 91954705

IUPACN-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccccc1-c1cc(NC(=O)C2CCCN2S(C)(=O)=O)on1
InChIInChI=1S/C16H19N3O5S/c1-23-14-8-4-3-6-11(14)12-10-15(24-18-12)17-16(20)13-7-5-9-19(13)25(2,21)22/h3-4,6,8,10,13H,5,7,9H2,1-2H3,(H,17,20)
InChIKeyUKKGSAQKLDUITQ-UHFFFAOYSA-N
MW365.41 g/mol
LogP1.71
Rot. Bonds5

About N-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-methylsulfonylpyrrolidine-2-carboxamide

N-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 91954705) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID91954705
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC NameN-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccccc1-c1cc(NC(=O)C2CCCN2S(C)(=O)=O)on1
InChIInChI=1S/C16H19N3O5S/c1-23-14-8-4-3-6-11(14)12-10-15(24-18-12)17-16(20)13-7-5-9-19(13)25(2,21)22/h3-4,6,8,10,13H,5,7,9H2,1-2H3,(H,17,20)
InChIKeyUKKGSAQKLDUITQ-UHFFFAOYSA-N
XLogP1.71
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 32620349
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-2-carboxamide
CID 55777019
N-[2-(2-methoxyphenyl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51073763
N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide
CID 56552352
(2R)-N-(6-methoxy-3-pyridinyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 39898332
N-(2-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 45153692
N'-(1-methylsulfonylpyrrolidine-2-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide
CID 51111295
1-methylsulfonyl-N-(4-phenoxyphenyl)pyrrolidine-2-carboxamide
CID 17412915
N-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341707
(2S)-N-[6-(3-methoxyphenoxy)-3-pyridinyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 131915781
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 17435413
(2S)-1-formyl-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide
CID 89190532

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-methylsulfonylpyrrolidine-2-carboxamide (CID 91954705) is N-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-methylsulfonylpyrrolidine-2-carboxamide is COc1ccccc1-c1cc(NC(=O)C2CCCN2S(C)(=O)=O)on1.
What is the InChIKey of N-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is UKKGSAQKLDUITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S/c1-23-14-8-4-3-6-11(14)12-10-15(24-18-12)17-16(20)13-7-5-9-19(13)25(2,21)22/h3-4,6,8,10,13H,5,7,9H2,1-2H3,(H,17,20).
What are the key properties of N-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-methylsulfonylpyrrolidine-2-carboxamide?
N-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 91954705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).