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

C14H17ClN2O2 — CID 66198020

IUPAC5-butyl-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCCCCc1onc(N)c1-c1cc(Cl)ccc1OC
InChIInChI=1S/C14H17ClN2O2/c1-3-4-5-12-13(14(16)17-19-12)10-8-9(15)6-7-11(10)18-2/h6-8H,3-5H2,1-2H3,(H2,16,17)
InChIKeyKQQPEEXXFDSQRV-UHFFFAOYSA-N
MW280.75 g/mol
LogP3.93
Rot. Bonds5

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

5-butyl-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine (PubChem CID 66198020) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 5-butyl-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-butyl-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
PubChem CID66198020
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name5-butyl-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCCCCc1onc(N)c1-c1cc(Cl)ccc1OC
InChIInChI=1S/C14H17ClN2O2/c1-3-4-5-12-13(14(16)17-19-12)10-8-9(15)6-7-11(10)18-2/h6-8H,3-5H2,1-2H3,(H2,16,17)
InChIKeyKQQPEEXXFDSQRV-UHFFFAOYSA-N
XLogP3.93
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-butyl-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66200570
4-(5-chloro-2-methoxyphenyl)-3-pentyl-1,2-oxazol-5-amine
CID 43336106
5-(5-chloro-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411950
5-(2-ethoxyethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
CID 66198944
5-(2-chlorofuran-3-yl)-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 106690651
4-(4-chlorophenyl)-5-heptyl-1,2-oxazol-3-amine
CID 66197935
4-(2-chlorophenyl)-5-octyl-1,2-oxazol-3-amine
CID 66206616
4-bromo-5-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 79557639
4-(3-chloro-2-fluorophenyl)-5-heptyl-1,2-oxazol-3-amine
CID 82792888
4-(2,6-dichlorophenyl)-5-heptyl-1,2-oxazol-3-amine
CID 66206625
5-(5-chloro-2-methoxyphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80522616
5-amino-4-(5-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 82092642

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-butyl-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine (CID 66198020) is 5-butyl-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-butyl-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-butyl-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine is CCCCc1onc(N)c1-c1cc(Cl)ccc1OC.
What is the InChIKey of 5-butyl-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is KQQPEEXXFDSQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-3-4-5-12-13(14(16)17-19-12)10-8-9(15)6-7-11(10)18-2/h6-8H,3-5H2,1-2H3,(H2,16,17).
What are the key properties of 5-butyl-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine?
5-butyl-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine has a molecular weight of 280.75 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).