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

C16H19N3O3 — CID 42962723

IUPACN-(2-methoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCCC1c1cc(C)no1
InChIInChI=1S/C16H19N3O3/c1-11-10-15(22-18-11)13-7-5-9-19(13)16(20)17-12-6-3-4-8-14(12)21-2/h3-4,6,8,10,13H,5,7,9H2,1-2H3,(H,17,20)
InChIKeySAQSQCSRBRKUAK-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.36
Rot. Bonds3

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

N-(2-methoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 42962723) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID42962723
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-(2-methoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCCC1c1cc(C)no1
InChIInChI=1S/C16H19N3O3/c1-11-10-15(22-18-11)13-7-5-9-19(13)16(20)17-12-6-3-4-8-14(12)21-2/h3-4,6,8,10,13H,5,7,9H2,1-2H3,(H,17,20)
InChIKeySAQSQCSRBRKUAK-UHFFFAOYSA-N
XLogP3.36
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (CID 42962723) is N-(2-methoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is COc1ccccc1NC(=O)N1CCCC1c1cc(C)no1.
What is the InChIKey of N-(2-methoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is SAQSQCSRBRKUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-10-15(22-18-11)13-7-5-9-19(13)16(20)17-12-6-3-4-8-14(12)21-2/h3-4,6,8,10,13H,5,7,9H2,1-2H3,(H,17,20).
What are the key properties of N-(2-methoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
N-(2-methoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 42962723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).