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

C9H9ClN2O — CID 19752

IUPAC5-(4-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NCC(c2ccc(Cl)cc2)O1
InChIInChI=1S/C9H9ClN2O/c10-7-3-1-6(2-4-7)8-5-12-9(11)13-8/h1-4,8H,5H2,(H2,11,12)
InChIKeyHAHOPPGVHWVBRR-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.73
Rot. Bonds1

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

5-(4-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 19752) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID19752
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name5-(4-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NCC(c2ccc(Cl)cc2)O1
InChIInChI=1S/C9H9ClN2O/c10-7-3-1-6(2-4-7)8-5-12-9(11)13-8/h1-4,8H,5H2,(H2,11,12)
InChIKeyHAHOPPGVHWVBRR-UHFFFAOYSA-N
XLogP1.73
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 19752) is 5-(4-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine is NC1=NCC(c2ccc(Cl)cc2)O1.
What is the InChIKey of 5-(4-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is HAHOPPGVHWVBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c10-7-3-1-6(2-4-7)8-5-12-9(11)13-8/h1-4,8H,5H2,(H2,11,12).
What are the key properties of 5-(4-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
5-(4-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 196.64 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 19752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).