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

C16H15Cl2N3O3 — CID 71888435

IUPACN'-cyclopropyl-N'-[(3,4-dichlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)no1
InChIInChI=1S/C16H15Cl2N3O3/c1-9-6-14(20-24-9)19-15(22)16(23)21(11-3-4-11)8-10-2-5-12(17)13(18)7-10/h2,5-7,11H,3-4,8H2,1H3,(H,19,20,22)
InChIKeyANQSNNRPTQHWNY-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.42
Rot. Bonds4

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

N'-cyclopropyl-N'-[(3,4-dichlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide (PubChem CID 71888435) has the molecular formula C16H15Cl2N3O3 and a molecular weight of 368.22 g/mol. Its IUPAC name is N'-cyclopropyl-N'-[(3,4-dichlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN'-cyclopropyl-N'-[(3,4-dichlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide
PubChem CID71888435
Molecular FormulaC16H15Cl2N3O3
Molecular Weight368.22 g/mol
Exact Mass367.05
IUPAC NameN'-cyclopropyl-N'-[(3,4-dichlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)no1
InChIInChI=1S/C16H15Cl2N3O3/c1-9-6-14(20-24-9)19-15(22)16(23)21(11-3-4-11)8-10-2-5-12(17)13(18)7-10/h2,5-7,11H,3-4,8H2,1H3,(H,19,20,22)
InChIKeyANQSNNRPTQHWNY-UHFFFAOYSA-N
XLogP3.42
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]propanamide
CID 61061495
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(methylamino)acetamide
CID 54872475
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-(methylamino)butanamide
CID 60947854
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30664497
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8770322
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 55470219
N-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylacetamide
CID 814043
2-chloro-N-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 3538590
N-cyclopropyl-2,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 42768935
1-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]cyclobutane-1-carboxamide
CID 81172021
2-chloro-N-cyclohexyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 42770204
2-[cyclohexyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 18078417

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-[(3,4-dichlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide?
The IUPAC name of N'-cyclopropyl-N'-[(3,4-dichlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide (CID 71888435) is N'-cyclopropyl-N'-[(3,4-dichlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N'-cyclopropyl-N'-[(3,4-dichlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N'-cyclopropyl-N'-[(3,4-dichlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide is Cc1cc(NC(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)no1.
What is the InChIKey of N'-cyclopropyl-N'-[(3,4-dichlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide?
The InChIKey is ANQSNNRPTQHWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O3/c1-9-6-14(20-24-9)19-15(22)16(23)21(11-3-4-11)8-10-2-5-12(17)13(18)7-10/h2,5-7,11H,3-4,8H2,1H3,(H,19,20,22).
What are the key properties of N'-cyclopropyl-N'-[(3,4-dichlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide?
N'-cyclopropyl-N'-[(3,4-dichlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide has a molecular weight of 368.22 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-[(3,4-dichlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 71888435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).