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

C14H9ClF2N2OS — CID 103402516

IUPAC3-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-5-amine
SMILESCc1csc(-c2noc(N)c2-c2ccc(F)cc2F)c1Cl
InChIInChI=1S/C14H9ClF2N2OS/c1-6-5-21-13(11(6)15)12-10(14(18)20-19-12)8-3-2-7(16)4-9(8)17/h2-5H,18H2,1H3
InChIKeyCVIAHADRUPWSNS-UHFFFAOYSA-N
MW326.76 g/mol
LogP4.89
Rot. Bonds2

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

3-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-5-amine (PubChem CID 103402516) has the molecular formula C14H9ClF2N2OS and a molecular weight of 326.76 g/mol. Its IUPAC name is 3-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-5-amine
PubChem CID103402516
Molecular FormulaC14H9ClF2N2OS
Molecular Weight326.76 g/mol
Exact Mass326.01
IUPAC Name3-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-5-amine
SMILESCc1csc(-c2noc(N)c2-c2ccc(F)cc2F)c1Cl
InChIInChI=1S/C14H9ClF2N2OS/c1-6-5-21-13(11(6)15)12-10(14(18)20-19-12)8-3-2-7(16)4-9(8)17/h2-5H,18H2,1H3
InChIKeyCVIAHADRUPWSNS-UHFFFAOYSA-N
XLogP4.89
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
CID 103407025
3-(3-chloro-4-methylthiophen-2-yl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine
CID 103402471
4-(2,4-difluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119587
4-(2,4-difluorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 64559713
4-(2-chloro-4-fluorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine
CID 79974175
4-(2,4-difluorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670796
3-(5-bromo-4-methylthiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-amine
CID 79977841
4-(2-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119586
4-(2,4-difluorophenyl)-3-(3-fluoro-4-pyridinyl)-1,2-oxazol-5-amine
CID 64949320
4-(2,4-difluorophenyl)-5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66202081
3-(2,4-difluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62830128
4-(4-chlorophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-5-amine
CID 43335828

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-5-amine (CID 103402516) is 3-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-5-amine is Cc1csc(-c2noc(N)c2-c2ccc(F)cc2F)c1Cl.
What is the InChIKey of 3-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is CVIAHADRUPWSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N2OS/c1-6-5-21-13(11(6)15)12-10(14(18)20-19-12)8-3-2-7(16)4-9(8)17/h2-5H,18H2,1H3.
What are the key properties of 3-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-5-amine?
3-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 326.76 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 103402516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).