N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C17H19N3O3 — CID 38881249

IUPACN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1cc(CN(C)C(=O)c2cccc(N3CCCC3=O)c2)no1
InChIInChI=1S/C17H19N3O3/c1-12-9-14(18-23-12)11-19(2)17(22)13-5-3-6-15(10-13)20-8-4-7-16(20)21/h3,5-6,9-10H,4,7-8,11H2,1-2H3
InChIKeyGRKWBNAOZSYWRF-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.38
Rot. Bonds4

About N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide

N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 38881249) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID38881249
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1cc(CN(C)C(=O)c2cccc(N3CCCC3=O)c2)no1
InChIInChI=1S/C17H19N3O3/c1-12-9-14(18-23-12)11-19(2)17(22)13-5-3-6-15(10-13)20-8-4-7-16(20)21/h3,5-6,9-10H,4,7-8,11H2,1-2H3
InChIKeyGRKWBNAOZSYWRF-UHFFFAOYSA-N
XLogP2.38
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 38881249) is N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide is Cc1cc(CN(C)C(=O)c2cccc(N3CCCC3=O)c2)no1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is GRKWBNAOZSYWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-9-14(18-23-12)11-19(2)17(22)13-5-3-6-15(10-13)20-8-4-7-16(20)21/h3,5-6,9-10H,4,7-8,11H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 313.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 38881249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).