4-chloro-2-phenyl-1,3-oxazol-5-amine

C9H7ClN2O — CID 69335141

IUPAC4-chloro-2-phenyl-1,3-oxazol-5-amine
SMILESNc1oc(-c2ccccc2)nc1Cl
InChIInChI=1S/C9H7ClN2O/c10-7-8(11)13-9(12-7)6-4-2-1-3-5-6/h1-5H,11H2
InChIKeyTWVVOQCODRZFOF-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.58
Rot. Bonds1

About 4-chloro-2-phenyl-1,3-oxazol-5-amine

4-chloro-2-phenyl-1,3-oxazol-5-amine (PubChem CID 69335141) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 4-chloro-2-phenyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-chloro-2-phenyl-1,3-oxazol-5-amine
PubChem CID69335141
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name4-chloro-2-phenyl-1,3-oxazol-5-amine
SMILESNc1oc(-c2ccccc2)nc1Cl
InChIInChI=1S/C9H7ClN2O/c10-7-8(11)13-9(12-7)6-4-2-1-3-5-6/h1-5H,11H2
InChIKeyTWVVOQCODRZFOF-UHFFFAOYSA-N
XLogP2.58
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-1,3-oxazol-5-amine?
The IUPAC name of 4-chloro-2-phenyl-1,3-oxazol-5-amine (CID 69335141) is 4-chloro-2-phenyl-1,3-oxazol-5-amine.
What is the SMILES notation for 4-chloro-2-phenyl-1,3-oxazol-5-amine?
The canonical SMILES for 4-chloro-2-phenyl-1,3-oxazol-5-amine is Nc1oc(-c2ccccc2)nc1Cl.
What is the InChIKey of 4-chloro-2-phenyl-1,3-oxazol-5-amine?
The InChIKey is TWVVOQCODRZFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c10-7-8(11)13-9(12-7)6-4-2-1-3-5-6/h1-5H,11H2.
What are the key properties of 4-chloro-2-phenyl-1,3-oxazol-5-amine?
4-chloro-2-phenyl-1,3-oxazol-5-amine has a molecular weight of 194.62 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-1,3-oxazol-5-amine is sourced from PubChem (CID 69335141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).