N-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide

C15H16ClN3O3 — CID 122139522

IUPACN-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cc(-c2cccc(Cl)c2)on1)N1CCC(CO)C1
InChIInChI=1S/C15H16ClN3O3/c16-12-3-1-2-11(6-12)13-7-14(18-22-13)17-15(21)19-5-4-10(8-19)9-20/h1-3,6-7,10,20H,4-5,8-9H2,(H,17,18,21)
InChIKeyMQUAAFFGPXNJLT-UHFFFAOYSA-N
MW321.76 g/mol
LogP2.84
Rot. Bonds3

About N-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide

N-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 122139522) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is N-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID122139522
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC NameN-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cc(-c2cccc(Cl)c2)on1)N1CCC(CO)C1
InChIInChI=1S/C15H16ClN3O3/c16-12-3-1-2-11(6-12)13-7-14(18-22-13)17-15(21)19-5-4-10(8-19)9-20/h1-3,6-7,10,20H,4-5,8-9H2,(H,17,18,21)
InChIKeyMQUAAFFGPXNJLT-UHFFFAOYSA-N
XLogP2.84
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110888423
(3aS,6aR)-2-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122091793
[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540304
N-(3,4-dichlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 111798594
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 146138655
(3R)-N-[2-(4-chlorophenyl)-4-fluorophenyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 129393354
5-(3-chlorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
CID 78862555
N-(3-chloro-4-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111442952
3-(hydroxymethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111443078
(2,6-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370762
N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111440705
(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 122139522) is N-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide is O=C(Nc1cc(-c2cccc(Cl)c2)on1)N1CCC(CO)C1.
What is the InChIKey of N-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is MQUAAFFGPXNJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c16-12-3-1-2-11(6-12)13-7-14(18-22-13)17-15(21)19-5-4-10(8-19)9-20/h1-3,6-7,10,20H,4-5,8-9H2,(H,17,18,21).
What are the key properties of N-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
N-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 321.76 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 122139522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).