4-(2-chloro-6-fluorophenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine

C14H10ClFN2OS — CID 43158015

IUPAC4-(2-chloro-6-fluorophenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine
SMILESCc1ccsc1-c1noc(N)c1-c1c(F)cccc1Cl
InChIInChI=1S/C14H10ClFN2OS/c1-7-5-6-20-13(7)12-11(14(17)19-18-12)10-8(15)3-2-4-9(10)16/h2-6H,17H2,1H3
InChIKeyQTLZMFLRKCDXSN-UHFFFAOYSA-N
MW308.76 g/mol
LogP4.75
Rot. Bonds2

About 4-(2-chloro-6-fluorophenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine

4-(2-chloro-6-fluorophenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine (PubChem CID 43158015) has the molecular formula C14H10ClFN2OS and a molecular weight of 308.76 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine
PubChem CID43158015
Molecular FormulaC14H10ClFN2OS
Molecular Weight308.76 g/mol
Exact Mass308.02
IUPAC Name4-(2-chloro-6-fluorophenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine
SMILESCc1ccsc1-c1noc(N)c1-c1c(F)cccc1Cl
InChIInChI=1S/C14H10ClFN2OS/c1-7-5-6-20-13(7)12-11(14(17)19-18-12)10-8(15)3-2-4-9(10)16/h2-6H,17H2,1H3
InChIKeyQTLZMFLRKCDXSN-UHFFFAOYSA-N
XLogP4.75
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine (CID 43158015) is 4-(2-chloro-6-fluorophenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine is Cc1ccsc1-c1noc(N)c1-c1c(F)cccc1Cl.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine?
The InChIKey is QTLZMFLRKCDXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2OS/c1-7-5-6-20-13(7)12-11(14(17)19-18-12)10-8(15)3-2-4-9(10)16/h2-6H,17H2,1H3.
What are the key properties of 4-(2-chloro-6-fluorophenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine?
4-(2-chloro-6-fluorophenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine has a molecular weight of 308.76 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43158015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).