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

C14H17ClN2O — CID 66198300

IUPAC4-(3-chlorophenyl)-5-(2-methylbutan-2-yl)-1,2-oxazol-3-amine
SMILESCCC(C)(C)c1onc(N)c1-c1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2O/c1-4-14(2,3)12-11(13(16)17-18-12)9-6-5-7-10(15)8-9/h5-8H,4H2,1-3H3,(H2,16,17)
InChIKeyKVJZJTYKCFMFLO-UHFFFAOYSA-N
MW264.76 g/mol
LogP4.26
Rot. Bonds3

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

4-(3-chlorophenyl)-5-(2-methylbutan-2-yl)-1,2-oxazol-3-amine (PubChem CID 66198300) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-5-(2-methylbutan-2-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-5-(2-methylbutan-2-yl)-1,2-oxazol-3-amine
PubChem CID66198300
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name4-(3-chlorophenyl)-5-(2-methylbutan-2-yl)-1,2-oxazol-3-amine
SMILESCCC(C)(C)c1onc(N)c1-c1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2O/c1-4-14(2,3)12-11(13(16)17-18-12)9-6-5-7-10(15)8-9/h5-8H,4H2,1-3H3,(H2,16,17)
InChIKeyKVJZJTYKCFMFLO-UHFFFAOYSA-N
XLogP4.26
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-5-(2-methylbutan-2-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(3-chlorophenyl)-5-(2-methylbutan-2-yl)-1,2-oxazol-3-amine (CID 66198300) is 4-(3-chlorophenyl)-5-(2-methylbutan-2-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-5-(2-methylbutan-2-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3-chlorophenyl)-5-(2-methylbutan-2-yl)-1,2-oxazol-3-amine is CCC(C)(C)c1onc(N)c1-c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-5-(2-methylbutan-2-yl)-1,2-oxazol-3-amine?
The InChIKey is KVJZJTYKCFMFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-4-14(2,3)12-11(13(16)17-18-12)9-6-5-7-10(15)8-9/h5-8H,4H2,1-3H3,(H2,16,17).
What are the key properties of 4-(3-chlorophenyl)-5-(2-methylbutan-2-yl)-1,2-oxazol-3-amine?
4-(3-chlorophenyl)-5-(2-methylbutan-2-yl)-1,2-oxazol-3-amine has a molecular weight of 264.76 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-5-(2-methylbutan-2-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).