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

C16H19N3O3 — CID 47000833

IUPACN-(3-methoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCCC2c2cc(C)no2)c1
InChIInChI=1S/C16H19N3O3/c1-11-9-15(22-18-11)14-7-4-8-19(14)16(20)17-12-5-3-6-13(10-12)21-2/h3,5-6,9-10,14H,4,7-8H2,1-2H3,(H,17,20)
InChIKeyBDQLKHKCORXEDD-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.36
Rot. Bonds3

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

N-(3-methoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 47000833) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID47000833
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-(3-methoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCCC2c2cc(C)no2)c1
InChIInChI=1S/C16H19N3O3/c1-11-9-15(22-18-11)14-7-4-8-19(14)16(20)17-12-5-3-6-13(10-12)21-2/h3,5-6,9-10,14H,4,7-8H2,1-2H3,(H,17,20)
InChIKeyBDQLKHKCORXEDD-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-(3-methoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (CID 47000833) is N-(3-methoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is COc1cccc(NC(=O)N2CCCC2c2cc(C)no2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is BDQLKHKCORXEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-9-15(22-18-11)14-7-4-8-19(14)16(20)17-12-5-3-6-13(10-12)21-2/h3,5-6,9-10,14H,4,7-8H2,1-2H3,(H,17,20).
What are the key properties of N-(3-methoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
N-(3-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-(3-methoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47000833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).