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

C17H18ClN3O3 — CID 38303874

IUPAC4-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1cc(CN(C)C(=O)c2ccc(Cl)cc2N2CCCC2=O)no1
InChIInChI=1S/C17H18ClN3O3/c1-11-8-13(19-24-11)10-20(2)17(23)14-6-5-12(18)9-15(14)21-7-3-4-16(21)22/h5-6,8-9H,3-4,7,10H2,1-2H3
InChIKeyLMZLZGIMWJFRIO-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.04
Rot. Bonds4

About 4-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide

4-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 38303874) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID38303874
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name4-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1cc(CN(C)C(=O)c2ccc(Cl)cc2N2CCCC2=O)no1
InChIInChI=1S/C17H18ClN3O3/c1-11-8-13(19-24-11)10-20(2)17(23)14-6-5-12(18)9-15(14)21-7-3-4-16(21)22/h5-6,8-9H,3-4,7,10H2,1-2H3
InChIKeyLMZLZGIMWJFRIO-UHFFFAOYSA-N
XLogP3.04
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide
CID 36670953
4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide
CID 34855876
5-chloro-2-hydroxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 38881006
2-amino-4-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 55137012
N,1-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 38304018
3-amino-N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 43587238
2-(4-chlorophenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 110714502
4-chloro-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 34751134
4-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 26690017
N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,4-dimethylbenzohydrazide
CID 9084885
[5-chloro-2-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamic acid
CID 68995698
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide
CID 9153351

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 4-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide (CID 38303874) is 4-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide is Cc1cc(CN(C)C(=O)c2ccc(Cl)cc2N2CCCC2=O)no1.
What is the InChIKey of 4-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is LMZLZGIMWJFRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-11-8-13(19-24-11)10-20(2)17(23)14-6-5-12(18)9-15(14)21-7-3-4-16(21)22/h5-6,8-9H,3-4,7,10H2,1-2H3.
What are the key properties of 4-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
4-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 347.80 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 38303874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).