N-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]-N-methylacetamide

C18H22ClN3O2 — CID 70784562

IUPACN-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(Cc2nc(-c3ccccc3Cl)oc2C)C1
InChIInChI=1S/C18H22ClN3O2/c1-12-17(11-22-9-8-14(10-22)21(3)13(2)23)20-18(24-12)15-6-4-5-7-16(15)19/h4-7,14H,8-11H2,1-3H3
InChIKeyAHZXVZHOXWHVFP-UHFFFAOYSA-N
MW347.85 g/mol
LogP3.36
Rot. Bonds4

About N-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]-N-methylacetamide

N-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]-N-methylacetamide (PubChem CID 70784562) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is N-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]-N-methylacetamide
PubChem CID70784562
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC NameN-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(Cc2nc(-c3ccccc3Cl)oc2C)C1
InChIInChI=1S/C18H22ClN3O2/c1-12-17(11-22-9-8-14(10-22)21(3)13(2)23)20-18(24-12)15-6-4-5-7-16(15)19/h4-7,14H,8-11H2,1-3H3
InChIKeyAHZXVZHOXWHVFP-UHFFFAOYSA-N
XLogP3.36
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of N-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]-N-methylacetamide (CID 70784562) is N-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]-N-methylacetamide is CC(=O)N(C)C1CCN(Cc2nc(-c3ccccc3Cl)oc2C)C1.
What is the InChIKey of N-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is AHZXVZHOXWHVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-12-17(11-22-9-8-14(10-22)21(3)13(2)23)20-18(24-12)15-6-4-5-7-16(15)19/h4-7,14H,8-11H2,1-3H3.
What are the key properties of N-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]-N-methylacetamide?
N-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 347.85 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 70784562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).