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

C17H21N3O3 — CID 53035040

IUPACN-[(3-methoxyphenyl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCCC2c2cc(C)on2)c1
InChIInChI=1S/C17H21N3O3/c1-12-9-15(19-23-12)16-7-4-8-20(16)17(21)18-11-13-5-3-6-14(10-13)22-2/h3,5-6,9-10,16H,4,7-8,11H2,1-2H3,(H,18,21)
InChIKeyOTXFPLQNQRFBCX-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.04
Rot. Bonds4

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

N-[(3-methoxyphenyl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 53035040) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID53035040
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCCC2c2cc(C)on2)c1
InChIInChI=1S/C17H21N3O3/c1-12-9-15(19-23-12)16-7-4-8-20(16)17(21)18-11-13-5-3-6-14(10-13)22-2/h3,5-6,9-10,16H,4,7-8,11H2,1-2H3,(H,18,21)
InChIKeyOTXFPLQNQRFBCX-UHFFFAOYSA-N
XLogP3.04
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (CID 53035040) is N-[(3-methoxyphenyl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is COc1cccc(CNC(=O)N2CCCC2c2cc(C)on2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is OTXFPLQNQRFBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-9-15(19-23-12)16-7-4-8-20(16)17(21)18-11-13-5-3-6-14(10-13)22-2/h3,5-6,9-10,16H,4,7-8,11H2,1-2H3,(H,18,21).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
N-[(3-methoxyphenyl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 53035040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).