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

C9H9ClN2OS — CID 103406991

IUPAC5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2-oxazol-3-amine
SMILESCc1csc(-c2onc(N)c2C)c1Cl
InChIInChI=1S/C9H9ClN2OS/c1-4-3-14-8(6(4)10)7-5(2)9(11)12-13-7/h3H,1-2H3,(H2,11,12)
InChIKeyVAHAGLVSUYMNEG-UHFFFAOYSA-N
MW228.70 g/mol
LogP3.26
Rot. Bonds1

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

5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2-oxazol-3-amine (PubChem CID 103406991) has the molecular formula C9H9ClN2OS and a molecular weight of 228.70 g/mol. Its IUPAC name is 5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2-oxazol-3-amine
PubChem CID103406991
Molecular FormulaC9H9ClN2OS
Molecular Weight228.70 g/mol
Exact Mass228.01
IUPAC Name5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2-oxazol-3-amine
SMILESCc1csc(-c2onc(N)c2C)c1Cl
InChIInChI=1S/C9H9ClN2OS/c1-4-3-14-8(6(4)10)7-5(2)9(11)12-13-7/h3H,1-2H3,(H2,11,12)
InChIKeyVAHAGLVSUYMNEG-UHFFFAOYSA-N
XLogP3.26
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloro-4-methylthiophen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine
CID 103407009
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
5-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
CID 103407025
[5-(3-chloro-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine
CID 103407154
5-(5-chloro-2-methylphenyl)-4-methyl-1,2-oxazol-3-amine
CID 82890379
3-(3-chloro-4-methylthiophen-2-yl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine
CID 103402471
4-methyl-5-pyrimidin-5-yl-1,2-oxazol-3-amine
CID 102923030
5-(2-chlorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66198805
5-(4-chloro-1-methylpyrazol-5-yl)-4-methyl-1,2-oxazol-3-amine
CID 164655342
3-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-5-amine
CID 103402516
2-(3-chloro-4-methylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole
CID 103407386

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2-oxazol-3-amine (CID 103406991) is 5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2-oxazol-3-amine is Cc1csc(-c2onc(N)c2C)c1Cl.
What is the InChIKey of 5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2-oxazol-3-amine?
The InChIKey is VAHAGLVSUYMNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2OS/c1-4-3-14-8(6(4)10)7-5(2)9(11)12-13-7/h3H,1-2H3,(H2,11,12).
What are the key properties of 5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2-oxazol-3-amine?
5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2-oxazol-3-amine has a molecular weight of 228.70 g/mol, XLogP of 3.26, 1 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-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 103406991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).