N-[3-(4-chlorophenyl)cyclobutyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide

C16H16ClN3O3 — CID 166222362

IUPACN-[3-(4-chlorophenyl)cyclobutyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)NC2CC(c3ccc(Cl)cc3)C2)no1
InChIInChI=1S/C16H16ClN3O3/c1-9-6-14(20-23-9)19-16(22)15(21)18-13-7-11(8-13)10-2-4-12(17)5-3-10/h2-6,11,13H,7-8H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyCDGQIKMVXAUIIR-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.64
Rot. Bonds3

About N-[3-(4-chlorophenyl)cyclobutyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide

N-[3-(4-chlorophenyl)cyclobutyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (PubChem CID 166222362) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)cyclobutyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)cyclobutyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
PubChem CID166222362
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC NameN-[3-(4-chlorophenyl)cyclobutyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)NC2CC(c3ccc(Cl)cc3)C2)no1
InChIInChI=1S/C16H16ClN3O3/c1-9-6-14(20-23-9)19-16(22)15(21)18-13-7-11(8-13)10-2-4-12(17)5-3-10/h2-6,11,13H,7-8H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyCDGQIKMVXAUIIR-UHFFFAOYSA-N
XLogP2.64
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996024
N-(5-methyl-1,2-oxazol-3-yl)-3-phenylcyclobutane-1-carboxamide
CID 154775274
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47245192
N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996069
N-(3-chlorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47204376
N-(2,5-difluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108524041
1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)urea
CID 136585897
N-(3,4-dihydro-2H-chromen-4-yl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 51083914
3-chloro-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 110764772
4-[(4-chlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-1,4-diazepane-1-carboxamide
CID 18144051
N'-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide
CID 44996026
(5R)-3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7260064

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)cyclobutyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The IUPAC name of N-[3-(4-chlorophenyl)cyclobutyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (CID 166222362) is N-[3-(4-chlorophenyl)cyclobutyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)cyclobutyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N-[3-(4-chlorophenyl)cyclobutyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is Cc1cc(NC(=O)C(=O)NC2CC(c3ccc(Cl)cc3)C2)no1.
What is the InChIKey of N-[3-(4-chlorophenyl)cyclobutyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The InChIKey is CDGQIKMVXAUIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-9-6-14(20-23-9)19-16(22)15(21)18-13-7-11(8-13)10-2-4-12(17)5-3-10/h2-6,11,13H,7-8H2,1H3,(H,18,21)(H,19,20,22).
What are the key properties of N-[3-(4-chlorophenyl)cyclobutyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
N-[3-(4-chlorophenyl)cyclobutyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide has a molecular weight of 333.78 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)cyclobutyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 166222362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).