3-(5-chlorothiophen-2-yl)-2-pentan-2-yl-3H-1,2-oxazol-5-amine

C12H17ClN2OS — CID 154453583

IUPAC3-(5-chlorothiophen-2-yl)-2-pentan-2-yl-3H-1,2-oxazol-5-amine
SMILESCCCC(C)N1OC(N)=CC1c1ccc(Cl)s1
InChIInChI=1S/C12H17ClN2OS/c1-3-4-8(2)15-9(7-12(14)16-15)10-5-6-11(13)17-10/h5-9H,3-4,14H2,1-2H3
InChIKeyCENSBONFVKQXQJ-UHFFFAOYSA-N
MW272.80 g/mol
LogP3.68
Rot. Bonds4

About 3-(5-chlorothiophen-2-yl)-2-pentan-2-yl-3H-1,2-oxazol-5-amine

3-(5-chlorothiophen-2-yl)-2-pentan-2-yl-3H-1,2-oxazol-5-amine (PubChem CID 154453583) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-2-pentan-2-yl-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-2-pentan-2-yl-3H-1,2-oxazol-5-amine
PubChem CID154453583
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Name3-(5-chlorothiophen-2-yl)-2-pentan-2-yl-3H-1,2-oxazol-5-amine
SMILESCCCC(C)N1OC(N)=CC1c1ccc(Cl)s1
InChIInChI=1S/C12H17ClN2OS/c1-3-4-8(2)15-9(7-12(14)16-15)10-5-6-11(13)17-10/h5-9H,3-4,14H2,1-2H3
InChIKeyCENSBONFVKQXQJ-UHFFFAOYSA-N
XLogP3.68
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine
CID 154453578
3-(5-chlorothiophen-2-yl)-2-[(3-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine
CID 154453584
3-(5-chlorothiophen-2-yl)-2-cyclopentyl-5H-1,2-oxazol-5-amine
CID 90721100
3-(5-chlorothiophen-2-yl)-2-cyclohexyl-5H-1,2-oxazol-5-amine
CID 90815879
3-(5-chlorothiophen-2-yl)-2-cyclobutyl-5H-1,2-oxazol-5-amine
CID 91001426
3-(5-chlorothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine
CID 91386226
2-butan-2-yl-3-(5-chlorothiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 91449845
2-(3-methoxypropyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063207
3-(5-chlorothiophen-2-yl)-2-(1,2-diphenylethyl)-3H-1,2-oxazol-5-amine
CID 141063238
3-(5-chlorothiophen-2-yl)-2-[3-(dibutylamino)propyl]-3H-1,2-oxazol-5-amine
CID 141063259
2-(1-benzylpiperidin-4-yl)-3-(5-chlorothiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063262
2-(6-methylheptan-2-yl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063274

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-2-pentan-2-yl-3H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-2-pentan-2-yl-3H-1,2-oxazol-5-amine (CID 154453583) is 3-(5-chlorothiophen-2-yl)-2-pentan-2-yl-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-2-pentan-2-yl-3H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-2-pentan-2-yl-3H-1,2-oxazol-5-amine is CCCC(C)N1OC(N)=CC1c1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-2-pentan-2-yl-3H-1,2-oxazol-5-amine?
The InChIKey is CENSBONFVKQXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c1-3-4-8(2)15-9(7-12(14)16-15)10-5-6-11(13)17-10/h5-9H,3-4,14H2,1-2H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)-2-pentan-2-yl-3H-1,2-oxazol-5-amine?
3-(5-chlorothiophen-2-yl)-2-pentan-2-yl-3H-1,2-oxazol-5-amine has a molecular weight of 272.80 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-2-pentan-2-yl-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 154453583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).