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

C16H21ClN2O — CID 66200299

IUPAC4-(3-chlorophenyl)-5-heptan-3-yl-1,2-oxazol-3-amine
SMILESCCCCC(CC)c1onc(N)c1-c1cccc(Cl)c1
InChIInChI=1S/C16H21ClN2O/c1-3-5-7-11(4-2)15-14(16(18)19-20-15)12-8-6-9-13(17)10-12/h6,8-11H,3-5,7H2,1-2H3,(H2,18,19)
InChIKeyPZUCTYSWKCQBGK-UHFFFAOYSA-N
MW292.81 g/mol
LogP5.26
Rot. Bonds6

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

4-(3-chlorophenyl)-5-heptan-3-yl-1,2-oxazol-3-amine (PubChem CID 66200299) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-5-heptan-3-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-5-heptan-3-yl-1,2-oxazol-3-amine
PubChem CID66200299
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name4-(3-chlorophenyl)-5-heptan-3-yl-1,2-oxazol-3-amine
SMILESCCCCC(CC)c1onc(N)c1-c1cccc(Cl)c1
InChIInChI=1S/C16H21ClN2O/c1-3-5-7-11(4-2)15-14(16(18)19-20-15)12-8-6-9-13(17)10-12/h6,8-11H,3-5,7H2,1-2H3,(H2,18,19)
InChIKeyPZUCTYSWKCQBGK-UHFFFAOYSA-N
XLogP5.26
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.81
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromophenyl)-5-heptan-4-yl-1,2-oxazol-3-amine
CID 82987497
4-(3-chlorophenyl)-1,2-oxazole-3,5-diamine
CID 130439181
4-(3-chlorophenyl)-5-(2-methylbutan-2-yl)-1,2-oxazol-3-amine
CID 66198300
5-butan-2-yl-4-phenyl-1,2-oxazol-3-amine
CID 66200306
4-(3-chlorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine
CID 66200502
5-heptan-4-yl-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 82988157
4-(3-methoxyphenyl)-5-pentan-2-yl-1,2-oxazol-3-amine
CID 66200696
5-(3-chlorophenyl)-4-ethyl-1,2-oxazol-3-amine
CID 66199430
5-(3-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66199504
4-(2,6-dichlorophenyl)-5-pentan-2-yl-1,2-oxazol-3-amine
CID 66206420
5-(5-chloro-2-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
CID 66197900
4-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 66198897

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-5-heptan-3-yl-1,2-oxazol-3-amine?
The IUPAC name of 4-(3-chlorophenyl)-5-heptan-3-yl-1,2-oxazol-3-amine (CID 66200299) is 4-(3-chlorophenyl)-5-heptan-3-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-5-heptan-3-yl-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3-chlorophenyl)-5-heptan-3-yl-1,2-oxazol-3-amine is CCCCC(CC)c1onc(N)c1-c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-5-heptan-3-yl-1,2-oxazol-3-amine?
The InChIKey is PZUCTYSWKCQBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-3-5-7-11(4-2)15-14(16(18)19-20-15)12-8-6-9-13(17)10-12/h6,8-11H,3-5,7H2,1-2H3,(H2,18,19).
What are the key properties of 4-(3-chlorophenyl)-5-heptan-3-yl-1,2-oxazol-3-amine?
4-(3-chlorophenyl)-5-heptan-3-yl-1,2-oxazol-3-amine has a molecular weight of 292.81 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-5-heptan-3-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 66200299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).