2-[[(3-chlorobenzoyl)-cyclopropylamino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide

C18H18ClN3O3 — CID 1195797

IUPAC2-[[(3-chlorobenzoyl)-cyclopropylamino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CC1)c1coc(CN(C(=O)c2cccc(Cl)c2)C2CC2)n1
InChIInChI=1S/C18H18ClN3O3/c19-12-3-1-2-11(8-12)18(24)22(14-6-7-14)9-16-21-15(10-25-16)17(23)20-13-4-5-13/h1-3,8,10,13-14H,4-7,9H2,(H,20,23)
InChIKeyLHLKZRDAHYMTIQ-UHFFFAOYSA-N
MW359.81 g/mol
LogP3.03
Rot. Bonds6

About 2-[[(3-chlorobenzoyl)-cyclopropylamino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide

2-[[(3-chlorobenzoyl)-cyclopropylamino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide (PubChem CID 1195797) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is 2-[[(3-chlorobenzoyl)-cyclopropylamino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(3-chlorobenzoyl)-cyclopropylamino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
PubChem CID1195797
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Name2-[[(3-chlorobenzoyl)-cyclopropylamino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CC1)c1coc(CN(C(=O)c2cccc(Cl)c2)C2CC2)n1
InChIInChI=1S/C18H18ClN3O3/c19-12-3-1-2-11(8-12)18(24)22(14-6-7-14)9-16-21-15(10-25-16)17(23)20-13-4-5-13/h1-3,8,10,13-14H,4-7,9H2,(H,20,23)
InChIKeyLHLKZRDAHYMTIQ-UHFFFAOYSA-N
XLogP3.03
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 810603
N-cyclopropyl-2-[[cyclopropyl-[(2,3-dimethylphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 7415529
N-cyclohexyl-2-[[cyclohexyl-(3,5-dimethoxybenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 42766369
2-[[1-adamantylcarbamoyl(cyclopropyl)amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 7225997
N-cyclohexyl-2-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 42766359
2-[[benzyl-[(3-phenoxyphenyl)methyl]amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 42833545
3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 43576965
N-cyclopropyl-2-[[cyclopropylmethyl-[(3-phenoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 42834688
2-N-(3-chlorophenyl)-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093921
N-[2-[acetyl(cyclopropyl)amino]ethyl]-3-chlorobenzamide
CID 113052148
N-(4-aminocyclohexyl)-3-chlorobenzamide
CID 62313478
3-chloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 810006

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-chlorobenzoyl)-cyclopropylamino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[(3-chlorobenzoyl)-cyclopropylamino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide (CID 1195797) is 2-[[(3-chlorobenzoyl)-cyclopropylamino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[(3-chlorobenzoyl)-cyclopropylamino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[(3-chlorobenzoyl)-cyclopropylamino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide is O=C(NC1CC1)c1coc(CN(C(=O)c2cccc(Cl)c2)C2CC2)n1.
What is the InChIKey of 2-[[(3-chlorobenzoyl)-cyclopropylamino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide?
The InChIKey is LHLKZRDAHYMTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c19-12-3-1-2-11(8-12)18(24)22(14-6-7-14)9-16-21-15(10-25-16)17(23)20-13-4-5-13/h1-3,8,10,13-14H,4-7,9H2,(H,20,23).
What are the key properties of 2-[[(3-chlorobenzoyl)-cyclopropylamino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide?
2-[[(3-chlorobenzoyl)-cyclopropylamino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide has a molecular weight of 359.81 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-chlorobenzoyl)-cyclopropylamino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 1195797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).