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

C12H15ClN2OS — CID 103407009

IUPAC5-(3-chloro-4-methylthiophen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine
SMILESCc1csc(-c2onc(N)c2CC(C)C)c1Cl
InChIInChI=1S/C12H15ClN2OS/c1-6(2)4-8-10(16-15-12(8)14)11-9(13)7(3)5-17-11/h5-6H,4H2,1-3H3,(H2,14,15)
InChIKeyHRPKFWPDOKOXQL-UHFFFAOYSA-N
MW270.78 g/mol
LogP4.15
Rot. Bonds3

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

5-(3-chloro-4-methylthiophen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine (PubChem CID 103407009) has the molecular formula C12H15ClN2OS and a molecular weight of 270.78 g/mol. Its IUPAC name is 5-(3-chloro-4-methylthiophen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-4-methylthiophen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine
PubChem CID103407009
Molecular FormulaC12H15ClN2OS
Molecular Weight270.78 g/mol
Exact Mass270.06
IUPAC Name5-(3-chloro-4-methylthiophen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine
SMILESCc1csc(-c2onc(N)c2CC(C)C)c1Cl
InChIInChI=1S/C12H15ClN2OS/c1-6(2)4-8-10(16-15-12(8)14)11-9(13)7(3)5-17-11/h5-6H,4H2,1-3H3,(H2,14,15)
InChIKeyHRPKFWPDOKOXQL-UHFFFAOYSA-N
XLogP4.15
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2-oxazol-3-amine
CID 103406991
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-methyl-4-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66199654
5-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
CID 103407025
5-(2,5-dimethylfuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66198057
5-(4-bromo-2-chlorophenyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66200466
5-(3-methyl-4-nitrophenyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66200462
[5-(3-chloro-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine
CID 103407154
1-[5-(3-chloro-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 103405255
3-(3-chloro-4-methylthiophen-2-yl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine
CID 103402471
4-(2-methylpropyl)-5-octyl-1,2-oxazol-3-amine
CID 66199050

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methylthiophen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-chloro-4-methylthiophen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine (CID 103407009) is 5-(3-chloro-4-methylthiophen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-chloro-4-methylthiophen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-chloro-4-methylthiophen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine is Cc1csc(-c2onc(N)c2CC(C)C)c1Cl.
What is the InChIKey of 5-(3-chloro-4-methylthiophen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine?
The InChIKey is HRPKFWPDOKOXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2OS/c1-6(2)4-8-10(16-15-12(8)14)11-9(13)7(3)5-17-11/h5-6H,4H2,1-3H3,(H2,14,15).
What are the key properties of 5-(3-chloro-4-methylthiophen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine?
5-(3-chloro-4-methylthiophen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine has a molecular weight of 270.78 g/mol, XLogP of 4.15, 3 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-methylpropyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 103407009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).