2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carbaldehyde

C13H13ClN2O2 — CID 155028064

IUPAC2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carbaldehyde
SMILESCc1oc(NCCc2ccc(Cl)cc2)nc1C=O
InChIInChI=1S/C13H13ClN2O2/c1-9-12(8-17)16-13(18-9)15-7-6-10-2-4-11(14)5-3-10/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyUSVHUANSLZRCHZ-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.10
Rot. Bonds5

About 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carbaldehyde

2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carbaldehyde (PubChem CID 155028064) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carbaldehyde
PubChem CID155028064
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carbaldehyde
SMILESCc1oc(NCCc2ccc(Cl)cc2)nc1C=O
InChIInChI=1S/C13H13ClN2O2/c1-9-12(8-17)16-13(18-9)15-7-6-10-2-4-11(14)5-3-10/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyUSVHUANSLZRCHZ-UHFFFAOYSA-N
XLogP3.10
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carbaldehyde?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carbaldehyde (CID 155028064) is 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carbaldehyde.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carbaldehyde?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carbaldehyde is Cc1oc(NCCc2ccc(Cl)cc2)nc1C=O.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carbaldehyde?
The InChIKey is USVHUANSLZRCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-9-12(8-17)16-13(18-9)15-7-6-10-2-4-11(14)5-3-10/h2-5,8H,6-7H2,1H3,(H,15,16).
What are the key properties of 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carbaldehyde?
2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carbaldehyde has a molecular weight of 264.71 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carbaldehyde is sourced from PubChem (CID 155028064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).