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

C14H15ClN2O2 — CID 55150697

IUPAC4-(3-chlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine
SMILESNc1onc(C2CCCOC2)c1-c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O2/c15-11-5-1-3-9(7-11)12-13(17-19-14(12)16)10-4-2-6-18-8-10/h1,3,5,7,10H,2,4,6,8,16H2
InChIKeyHMAOVOBGKNCLRG-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.47
Rot. Bonds2

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

4-(3-chlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine (PubChem CID 55150697) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine
PubChem CID55150697
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name4-(3-chlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine
SMILESNc1onc(C2CCCOC2)c1-c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O2/c15-11-5-1-3-9(7-11)12-13(17-19-14(12)16)10-4-2-6-18-8-10/h1,3,5,7,10H,2,4,6,8,16H2
InChIKeyHMAOVOBGKNCLRG-UHFFFAOYSA-N
XLogP3.47
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dichlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine
CID 63013669
3-(oxan-3-yl)-4-phenyl-1,2-oxazol-5-amine
CID 63015258
4-(3-chlorophenyl)-3-(1,1-dioxothian-2-yl)-1,2-oxazol-5-amine
CID 104520006
4-(3-chlorophenyl)-1,2-oxazole-3,5-diamine
CID 130439181
3-cyclohexyl-4-phenyl-1,2-oxazol-5-amine
CID 43158023
3-cyclopentyl-4-(2,4-dichlorophenyl)-1,2-oxazol-5-amine
CID 43335969
4-(2,6-dichlorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine
CID 66206231
4-(3-methoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine
CID 66200693
3-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 43157972
3-(oxan-4-yl)-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 80522906
3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine
CID 43336233
3-(3-chloro-5-methylphenyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 81316062

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-chlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine (CID 55150697) is 4-(3-chlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-chlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine is Nc1onc(C2CCCOC2)c1-c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine?
The InChIKey is HMAOVOBGKNCLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-11-5-1-3-9(7-11)12-13(17-19-14(12)16)10-4-2-6-18-8-10/h1,3,5,7,10H,2,4,6,8,16H2.
What are the key properties of 4-(3-chlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine?
4-(3-chlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine has a molecular weight of 278.74 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 55150697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).