N-[1-(4-chlorophenyl)cyclobutyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

C18H21ClN2O2 — CID 47071392

IUPACN-[1-(4-chlorophenyl)cyclobutyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCc1noc(C)c1CCC(=O)NC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C18H21ClN2O2/c1-12-16(13(2)23-21-12)8-9-17(22)20-18(10-3-11-18)14-4-6-15(19)7-5-14/h4-7H,3,8-11H2,1-2H3,(H,20,22)
InChIKeyNONAZODQBFABBC-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.07
Rot. Bonds5

About N-[1-(4-chlorophenyl)cyclobutyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

N-[1-(4-chlorophenyl)cyclobutyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (PubChem CID 47071392) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)cyclobutyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)cyclobutyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
PubChem CID47071392
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-[1-(4-chlorophenyl)cyclobutyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCc1noc(C)c1CCC(=O)NC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C18H21ClN2O2/c1-12-16(13(2)23-21-12)8-9-17(22)20-18(10-3-11-18)14-4-6-15(19)7-5-14/h4-7H,3,8-11H2,1-2H3,(H,20,22)
InChIKeyNONAZODQBFABBC-UHFFFAOYSA-N
XLogP4.07
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 43351070
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115877466
N-[1-(4-chlorophenyl)cyclopropyl]butanamide
CID 113091058
N-(2,6-dichlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 110651196
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 39948526
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(1-phenylcyclohexyl)acetamide
CID 71493818
N-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]benzamide
CID 55467217
N-[1-(4-chlorophenyl)cyclohexyl]-2-(methylamino)acetamide
CID 119764374
N-[1-(4-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
CID 134003985
1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120544348
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-phenylcyclobutyl)propanamide
CID 51273239
N-(3,3-dimethylcyclopentyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 115880663

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)cyclobutyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The IUPAC name of N-[1-(4-chlorophenyl)cyclobutyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (CID 47071392) is N-[1-(4-chlorophenyl)cyclobutyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)cyclobutyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)cyclobutyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is Cc1noc(C)c1CCC(=O)NC1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of N-[1-(4-chlorophenyl)cyclobutyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The InChIKey is NONAZODQBFABBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-12-16(13(2)23-21-12)8-9-17(22)20-18(10-3-11-18)14-4-6-15(19)7-5-14/h4-7H,3,8-11H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(4-chlorophenyl)cyclobutyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
N-[1-(4-chlorophenyl)cyclobutyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide has a molecular weight of 332.83 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)cyclobutyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is sourced from PubChem (CID 47071392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).