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

C14H9ClF2N2OS — CID 103407025

IUPAC5-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
SMILESCc1csc(-c2onc(N)c2-c2ccc(F)cc2F)c1Cl
InChIInChI=1S/C14H9ClF2N2OS/c1-6-5-21-13(11(6)15)12-10(14(18)19-20-12)8-3-2-7(16)4-9(8)17/h2-5H,1H3,(H2,18,19)
InChIKeyPHYDLSDWMTUUMJ-UHFFFAOYSA-N
MW326.76 g/mol
LogP4.89
Rot. Bonds2

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

5-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine (PubChem CID 103407025) has the molecular formula C14H9ClF2N2OS and a molecular weight of 326.76 g/mol. Its IUPAC name is 5-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
PubChem CID103407025
Molecular FormulaC14H9ClF2N2OS
Molecular Weight326.76 g/mol
Exact Mass326.01
IUPAC Name5-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
SMILESCc1csc(-c2onc(N)c2-c2ccc(F)cc2F)c1Cl
InChIInChI=1S/C14H9ClF2N2OS/c1-6-5-21-13(11(6)15)12-10(14(18)19-20-12)8-3-2-7(16)4-9(8)17/h2-5H,1H3,(H2,18,19)
InChIKeyPHYDLSDWMTUUMJ-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

4-(2,4-difluorophenyl)-5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66202081
3-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-5-amine
CID 103402516
5-(3-chloro-4-methylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 103407055
5-(3-chloro-4-methylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine
CID 103406964
4-(2,4-difluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66201498
5-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
CID 66202274
5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2-oxazol-3-amine
CID 103406991
4-(2,4-difluorophenyl)-5-pyridin-4-yl-1,2-oxazol-3-amine
CID 66201497
4-(2,4-difluorophenyl)-5-phenyl-1,2-oxazol-3-amine
CID 66204007
5-(2,4-difluorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66199002
4-(2,4-difluorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine
CID 66201692
4-(2,4-difluorophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine
CID 104643350

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine (CID 103407025) is 5-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine is Cc1csc(-c2onc(N)c2-c2ccc(F)cc2F)c1Cl.
What is the InChIKey of 5-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine?
The InChIKey is PHYDLSDWMTUUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N2OS/c1-6-5-21-13(11(6)15)12-10(14(18)19-20-12)8-3-2-7(16)4-9(8)17/h2-5H,1H3,(H2,18,19).
What are the key properties of 5-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine?
5-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-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 5-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 103407025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).