N-(3-chlorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide

C12H10ClN3O3 — CID 47204376

IUPACN-(3-chlorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)Nc2cccc(Cl)c2)no1
InChIInChI=1S/C12H10ClN3O3/c1-7-5-10(16-19-7)15-12(18)11(17)14-9-4-2-3-8(13)6-9/h2-6H,1H3,(H,14,17)(H,15,16,18)
InChIKeyKVDBADYKHRYUIP-UHFFFAOYSA-N
MW279.68 g/mol
LogP2.21
Rot. Bonds2

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

N-(3-chlorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (PubChem CID 47204376) has the molecular formula C12H10ClN3O3 and a molecular weight of 279.68 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
PubChem CID47204376
Molecular FormulaC12H10ClN3O3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC NameN-(3-chlorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)Nc2cccc(Cl)c2)no1
InChIInChI=1S/C12H10ClN3O3/c1-7-5-10(16-19-7)15-12(18)11(17)14-9-4-2-3-8(13)6-9/h2-6H,1H3,(H,14,17)(H,15,16,18)
InChIKeyKVDBADYKHRYUIP-UHFFFAOYSA-N
XLogP2.21
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 52.21
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'-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)oxamide
CID 44996030
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47245192
(Z)-N-(3-chlorophenyl)-2-cyano-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide
CID 108860462
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501
N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996069
N-(3-chlorophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108516544
2-(3-chlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2632943
1-(3,5-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 6467048
N-(3-acetamidophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108956261
5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 58725196
2-[(3-chlorophenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4129176
N-(2-hydroxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108514273

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The IUPAC name of N-(3-chlorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (CID 47204376) is N-(3-chlorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N-(3-chlorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is Cc1cc(NC(=O)C(=O)Nc2cccc(Cl)c2)no1.
What is the InChIKey of N-(3-chlorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The InChIKey is KVDBADYKHRYUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3/c1-7-5-10(16-19-7)15-12(18)11(17)14-9-4-2-3-8(13)6-9/h2-6H,1H3,(H,14,17)(H,15,16,18).
What are the key properties of N-(3-chlorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
N-(3-chlorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide has a molecular weight of 279.68 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 47204376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).