1-(4-chlorophenyl)-2-(2-imino-4-methyl-1,3-oxazol-3-yl)ethanone

C12H11ClN2O2 — CID 1480869

IUPAC1-(4-chlorophenyl)-2-(2-imino-4-methyl-1,3-oxazol-3-yl)ethanone
SMILES[H]/N=c1\occ(C)n1CC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2O2/c1-8-7-17-12(14)15(8)6-11(16)9-2-4-10(13)5-3-9/h2-5,7,14H,6H2,1H3/b14-12-
InChIKeyDPTAVTYCNALVCD-OWBHPGMISA-N
MW250.69 g/mol
LogP2.41
Rot. Bonds3

About 1-(4-chlorophenyl)-2-(2-imino-4-methyl-1,3-oxazol-3-yl)ethanone

1-(4-chlorophenyl)-2-(2-imino-4-methyl-1,3-oxazol-3-yl)ethanone (PubChem CID 1480869) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2-imino-4-methyl-1,3-oxazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2-imino-4-methyl-1,3-oxazol-3-yl)ethanone
PubChem CID1480869
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name1-(4-chlorophenyl)-2-(2-imino-4-methyl-1,3-oxazol-3-yl)ethanone
SMILES[H]/N=c1\occ(C)n1CC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2O2/c1-8-7-17-12(14)15(8)6-11(16)9-2-4-10(13)5-3-9/h2-5,7,14H,6H2,1H3/b14-12-
InChIKeyDPTAVTYCNALVCD-OWBHPGMISA-N
XLogP2.41
TPSA58.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2-imino-4-methyl-1,3-oxazol-3-yl)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(2-imino-4-methyl-1,3-oxazol-3-yl)ethanone (CID 1480869) is 1-(4-chlorophenyl)-2-(2-imino-4-methyl-1,3-oxazol-3-yl)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2-imino-4-methyl-1,3-oxazol-3-yl)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2-imino-4-methyl-1,3-oxazol-3-yl)ethanone is [H]/N=c1\occ(C)n1CC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2-imino-4-methyl-1,3-oxazol-3-yl)ethanone?
The InChIKey is DPTAVTYCNALVCD-OWBHPGMISA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-8-7-17-12(14)15(8)6-11(16)9-2-4-10(13)5-3-9/h2-5,7,14H,6H2,1H3/b14-12-.
What are the key properties of 1-(4-chlorophenyl)-2-(2-imino-4-methyl-1,3-oxazol-3-yl)ethanone?
1-(4-chlorophenyl)-2-(2-imino-4-methyl-1,3-oxazol-3-yl)ethanone has a molecular weight of 250.69 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2-imino-4-methyl-1,3-oxazol-3-yl)ethanone is sourced from PubChem (CID 1480869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).