3-(3-chloro-4-cyclopentyloxyphenyl)-1,2-oxazol-5-amine

C14H15ClN2O2 — CID 117447044

IUPAC3-(3-chloro-4-cyclopentyloxyphenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(OC3CCCC3)c(Cl)c2)no1
InChIInChI=1S/C14H15ClN2O2/c15-11-7-9(12-8-14(16)19-17-12)5-6-13(11)18-10-3-1-2-4-10/h5-8,10H,1-4,16H2
InChIKeyAGQLKKDIPCVIIK-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.90
Rot. Bonds3

About 3-(3-chloro-4-cyclopentyloxyphenyl)-1,2-oxazol-5-amine

3-(3-chloro-4-cyclopentyloxyphenyl)-1,2-oxazol-5-amine (PubChem CID 117447044) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 3-(3-chloro-4-cyclopentyloxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-chloro-4-cyclopentyloxyphenyl)-1,2-oxazol-5-amine
PubChem CID117447044
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name3-(3-chloro-4-cyclopentyloxyphenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(OC3CCCC3)c(Cl)c2)no1
InChIInChI=1S/C14H15ClN2O2/c15-11-7-9(12-8-14(16)19-17-12)5-6-13(11)18-10-3-1-2-4-10/h5-8,10H,1-4,16H2
InChIKeyAGQLKKDIPCVIIK-UHFFFAOYSA-N
XLogP3.90
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-methoxy-3-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117469039
4-(3-chloro-4-cyclopentyloxyphenyl)pyrimidine
CID 71282704
3-(4-methoxy-3-piperidin-3-yloxyphenyl)-1,2-oxazol-5-amine
CID 117467462
3-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117491631
3-(3-chloro-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3829147
3-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117446070
5-[3-chloro-4-(oxan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117475309
3-[4-(cyclobutylmethoxy)-3-fluorophenyl]-1,2-oxazol-5-amine
CID 117410012
(1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine
CID 78937707
3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine
CID 117445201
4-(3-chloro-4-cyclopropyloxyphenyl)pyridine
CID 71282606
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol
CID 118305351

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-cyclopentyloxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-chloro-4-cyclopentyloxyphenyl)-1,2-oxazol-5-amine (CID 117447044) is 3-(3-chloro-4-cyclopentyloxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-chloro-4-cyclopentyloxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-chloro-4-cyclopentyloxyphenyl)-1,2-oxazol-5-amine is Nc1cc(-c2ccc(OC3CCCC3)c(Cl)c2)no1.
What is the InChIKey of 3-(3-chloro-4-cyclopentyloxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is AGQLKKDIPCVIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-11-7-9(12-8-14(16)19-17-12)5-6-13(11)18-10-3-1-2-4-10/h5-8,10H,1-4,16H2.
What are the key properties of 3-(3-chloro-4-cyclopentyloxyphenyl)-1,2-oxazol-5-amine?
3-(3-chloro-4-cyclopentyloxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 278.74 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-cyclopentyloxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117447044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).