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

C17H18ClN3O3 — CID 56806449

IUPACN'-[(4-chlorophenyl)-cyclopropylmethyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)oxamide
SMILESCc1noc(C)c1NC(=O)C(=O)NC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H18ClN3O3/c1-9-14(10(2)24-21-9)19-16(22)17(23)20-15(11-3-4-11)12-5-7-13(18)8-6-12/h5-8,11,15H,3-4H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyBROQXJLSEJATRX-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.15
Rot. Bonds4

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

N'-[(4-chlorophenyl)-cyclopropylmethyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)oxamide (PubChem CID 56806449) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)-cyclopropylmethyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)oxamide.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)-cyclopropylmethyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)oxamide
PubChem CID56806449
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC NameN'-[(4-chlorophenyl)-cyclopropylmethyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)oxamide
SMILESCc1noc(C)c1NC(=O)C(=O)NC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H18ClN3O3/c1-9-14(10(2)24-21-9)19-16(22)17(23)20-15(11-3-4-11)12-5-7-13(18)8-6-12/h5-8,11,15H,3-4H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyBROQXJLSEJATRX-UHFFFAOYSA-N
XLogP3.15
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)-cyclopropylmethyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)oxamide?
The IUPAC name of N'-[(4-chlorophenyl)-cyclopropylmethyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)oxamide (CID 56806449) is N'-[(4-chlorophenyl)-cyclopropylmethyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)oxamide.
What is the SMILES notation for N'-[(4-chlorophenyl)-cyclopropylmethyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)oxamide?
The canonical SMILES for N'-[(4-chlorophenyl)-cyclopropylmethyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)oxamide is Cc1noc(C)c1NC(=O)C(=O)NC(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of N'-[(4-chlorophenyl)-cyclopropylmethyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)oxamide?
The InChIKey is BROQXJLSEJATRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-9-14(10(2)24-21-9)19-16(22)17(23)20-15(11-3-4-11)12-5-7-13(18)8-6-12/h5-8,11,15H,3-4H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N'-[(4-chlorophenyl)-cyclopropylmethyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)oxamide?
N'-[(4-chlorophenyl)-cyclopropylmethyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)oxamide has a molecular weight of 347.80 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)-cyclopropylmethyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)oxamide is sourced from PubChem (CID 56806449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).