5-(2-chlorophenyl)-4-methyl-1,2-oxazol-3-amine

C10H9ClN2O — CID 66198805

IUPAC5-(2-chlorophenyl)-4-methyl-1,2-oxazol-3-amine
SMILESCc1c(N)noc1-c1ccccc1Cl
InChIInChI=1S/C10H9ClN2O/c1-6-9(14-13-10(6)12)7-4-2-3-5-8(7)11/h2-5H,1H3,(H2,12,13)
InChIKeyVGYCDPSZOLSZGN-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.89
Rot. Bonds1

About 5-(2-chlorophenyl)-4-methyl-1,2-oxazol-3-amine

5-(2-chlorophenyl)-4-methyl-1,2-oxazol-3-amine (PubChem CID 66198805) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-4-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-4-methyl-1,2-oxazol-3-amine
PubChem CID66198805
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name5-(2-chlorophenyl)-4-methyl-1,2-oxazol-3-amine
SMILESCc1c(N)noc1-c1ccccc1Cl
InChIInChI=1S/C10H9ClN2O/c1-6-9(14-13-10(6)12)7-4-2-3-5-8(7)11/h2-5H,1H3,(H2,12,13)
InChIKeyVGYCDPSZOLSZGN-UHFFFAOYSA-N
XLogP2.89
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-4-methyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-chlorophenyl)-4-methyl-1,2-oxazol-3-amine (CID 66198805) is 5-(2-chlorophenyl)-4-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-4-methyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-chlorophenyl)-4-methyl-1,2-oxazol-3-amine is Cc1c(N)noc1-c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-4-methyl-1,2-oxazol-3-amine?
The InChIKey is VGYCDPSZOLSZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-6-9(14-13-10(6)12)7-4-2-3-5-8(7)11/h2-5H,1H3,(H2,12,13).
What are the key properties of 5-(2-chlorophenyl)-4-methyl-1,2-oxazol-3-amine?
5-(2-chlorophenyl)-4-methyl-1,2-oxazol-3-amine has a molecular weight of 208.65 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-4-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 66198805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).