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

C13H15ClN2O2 — CID 79411950

IUPAC5-(5-chloro-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1-c1cc(Cl)ccc1OC
InChIInChI=1S/C13H15ClN2O2/c1-3-4-9-12(18-16-13(9)15)10-7-8(14)5-6-11(10)17-2/h5-7H,3-4H2,1-2H3,(H2,15,16)
InChIKeyYVXNTLUDWOBCST-UHFFFAOYSA-N
MW266.73 g/mol
LogP3.54
Rot. Bonds4

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

5-(5-chloro-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine (PubChem CID 79411950) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-chloro-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine
PubChem CID79411950
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name5-(5-chloro-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1-c1cc(Cl)ccc1OC
InChIInChI=1S/C13H15ClN2O2/c1-3-4-9-12(18-16-13(9)15)10-7-8(14)5-6-11(10)17-2/h5-7H,3-4H2,1-2H3,(H2,15,16)
InChIKeyYVXNTLUDWOBCST-UHFFFAOYSA-N
XLogP3.54
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 79557639
5-(4-bromo-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine
CID 113296257
5-butyl-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66198020
5-(2,5-difluorophenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411963
5-(3-methoxy-4-methylphenyl)-4-propyl-1,2-oxazol-3-amine
CID 79413104
5-(2-chlorofuran-3-yl)-4-propyl-1,2-oxazol-3-amine
CID 106690685
5-(5-chloro-2-methoxyphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80522616
5-(2-fluoro-6-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411476
5-(2-chlorofuran-3-yl)-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 106690651
5-(3-chloro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine
CID 107101289
4-(5-chloro-2-methoxyphenyl)-3-pentyl-1,2-oxazol-5-amine
CID 43336106
5-(4-chloro-2-fluorophenyl)-4-ethyl-1,2-oxazol-3-amine
CID 66200636

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-chloro-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine (CID 79411950) is 5-(5-chloro-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-chloro-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-chloro-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine is CCCc1c(N)noc1-c1cc(Cl)ccc1OC.
What is the InChIKey of 5-(5-chloro-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine?
The InChIKey is YVXNTLUDWOBCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-3-4-9-12(18-16-13(9)15)10-7-8(14)5-6-11(10)17-2/h5-7H,3-4H2,1-2H3,(H2,15,16).
What are the key properties of 5-(5-chloro-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine?
5-(5-chloro-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine has a molecular weight of 266.73 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine is sourced from PubChem (CID 79411950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).