3-(3-chloro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine

C12H13ClN2O — CID 117345808

IUPAC3-(3-chloro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine
SMILESCC(C)c1cc(Cl)cc(-c2cc(N)on2)c1
InChIInChI=1S/C12H13ClN2O/c1-7(2)8-3-9(5-10(13)4-8)11-6-12(14)16-15-11/h3-7H,14H2,1-2H3
InChIKeyYPZFUPJYJCJLDE-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.70
Rot. Bonds2

About 3-(3-chloro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine

3-(3-chloro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine (PubChem CID 117345808) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 3-(3-chloro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-chloro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine
PubChem CID117345808
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name3-(3-chloro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine
SMILESCC(C)c1cc(Cl)cc(-c2cc(N)on2)c1
InChIInChI=1S/C12H13ClN2O/c1-7(2)8-3-9(5-10(13)4-8)11-6-12(14)16-15-11/h3-7H,14H2,1-2H3
InChIKeyYPZFUPJYJCJLDE-UHFFFAOYSA-N
XLogP3.70
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-chloro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine (CID 117345808) is 3-(3-chloro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-chloro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-chloro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine is CC(C)c1cc(Cl)cc(-c2cc(N)on2)c1.
What is the InChIKey of 3-(3-chloro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine?
The InChIKey is YPZFUPJYJCJLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-7(2)8-3-9(5-10(13)4-8)11-6-12(14)16-15-11/h3-7H,14H2,1-2H3.
What are the key properties of 3-(3-chloro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine?
3-(3-chloro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine has a molecular weight of 236.70 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117345808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).