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

C11H13ClN2OS — CID 91001426

IUPAC3-(5-chlorothiophen-2-yl)-2-cyclobutyl-5H-1,2-oxazol-5-amine
SMILESNC1C=C(c2ccc(Cl)s2)N(C2CCC2)O1
InChIInChI=1S/C11H13ClN2OS/c12-10-5-4-9(16-10)8-6-11(13)15-14(8)7-2-1-3-7/h4-7,11H,1-3,13H2
InChIKeyTXCSYVFSPLIUCB-UHFFFAOYSA-N
MW256.76 g/mol
LogP2.83
Rot. Bonds2

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

3-(5-chlorothiophen-2-yl)-2-cyclobutyl-5H-1,2-oxazol-5-amine (PubChem CID 91001426) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-2-cyclobutyl-5H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-2-cyclobutyl-5H-1,2-oxazol-5-amine
PubChem CID91001426
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC Name3-(5-chlorothiophen-2-yl)-2-cyclobutyl-5H-1,2-oxazol-5-amine
SMILESNC1C=C(c2ccc(Cl)s2)N(C2CCC2)O1
InChIInChI=1S/C11H13ClN2OS/c12-10-5-4-9(16-10)8-6-11(13)15-14(8)7-2-1-3-7/h4-7,11H,1-3,13H2
InChIKeyTXCSYVFSPLIUCB-UHFFFAOYSA-N
XLogP2.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chlorothiophen-2-yl)-2-cyclopentyl-5H-1,2-oxazol-5-amine
CID 90721100
2-butan-2-yl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90783493
3-(5-chlorothiophen-2-yl)-2-cyclohexyl-5H-1,2-oxazol-5-amine
CID 90815879
2-cyclobutyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90981074
2-butan-2-yl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 91296324
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
3-(5-chlorothiophen-2-yl)-2-(2-phenylethyl)-5H-1,2-oxazol-5-amine
CID 91570787
3-(5-chlorothiophen-2-yl)-2-[3-(dibutylamino)propyl]-3H-1,2-oxazol-5-amine
CID 141063259
3-(5-chlorothiophen-2-yl)-2-(3-methylsulfanylpropyl)-3H-1,2-oxazol-5-amine
CID 141063289
3-(5-chlorothiophen-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine
CID 141063562
3-(5-chlorothiophen-2-yl)-2-pentan-2-yl-3H-1,2-oxazol-5-amine
CID 154453583

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-2-cyclobutyl-5H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-2-cyclobutyl-5H-1,2-oxazol-5-amine (CID 91001426) is 3-(5-chlorothiophen-2-yl)-2-cyclobutyl-5H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-2-cyclobutyl-5H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-2-cyclobutyl-5H-1,2-oxazol-5-amine is NC1C=C(c2ccc(Cl)s2)N(C2CCC2)O1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-2-cyclobutyl-5H-1,2-oxazol-5-amine?
The InChIKey is TXCSYVFSPLIUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2OS/c12-10-5-4-9(16-10)8-6-11(13)15-14(8)7-2-1-3-7/h4-7,11H,1-3,13H2.
What are the key properties of 3-(5-chlorothiophen-2-yl)-2-cyclobutyl-5H-1,2-oxazol-5-amine?
3-(5-chlorothiophen-2-yl)-2-cyclobutyl-5H-1,2-oxazol-5-amine has a molecular weight of 256.76 g/mol, XLogP of 2.83, 2 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-cyclobutyl-5H-1,2-oxazol-5-amine is sourced from PubChem (CID 91001426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).