2-(2-methylcyclohexyl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine

C15H22N2OS — CID 141063256

IUPAC2-(2-methylcyclohexyl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
SMILESCc1ccsc1C1C=C(N)ON1C1CCCCC1C
InChIInChI=1S/C15H22N2OS/c1-10-5-3-4-6-12(10)17-13(9-14(16)18-17)15-11(2)7-8-19-15/h7-10,12-13H,3-6,16H2,1-2H3
InChIKeyMJBVZJYVOPMSOU-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.72
Rot. Bonds2

About 2-(2-methylcyclohexyl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine

2-(2-methylcyclohexyl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine (PubChem CID 141063256) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-(2-methylcyclohexyl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name2-(2-methylcyclohexyl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
PubChem CID141063256
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-(2-methylcyclohexyl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
SMILESCc1ccsc1C1C=C(N)ON1C1CCCCC1C
InChIInChI=1S/C15H22N2OS/c1-10-5-3-4-6-12(10)17-13(9-14(16)18-17)15-11(2)7-8-19-15/h7-10,12-13H,3-6,16H2,1-2H3
InChIKeyMJBVZJYVOPMSOU-UHFFFAOYSA-N
XLogP3.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-methylthiophen-2-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
CID 141063213
2-[(3,4-difluorophenyl)methyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063248
2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063306
3-(5-ethylthiophen-2-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
CID 141063354
3-(5-ethylthiophen-2-yl)-2-[[2-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
CID 141063375
2-[(3,4-difluorophenyl)methyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063401
3-(3-methylthiophen-2-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
CID 141063431
3-(3-methylthiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
CID 141063475
2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063477
2-[(3,4-difluorophenyl)methyl]-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063496
2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063506
3-(5-methylthiophen-2-yl)-2-[[2-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
CID 141063522

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylcyclohexyl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 2-(2-methylcyclohexyl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine (CID 141063256) is 2-(2-methylcyclohexyl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 2-(2-methylcyclohexyl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 2-(2-methylcyclohexyl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine is Cc1ccsc1C1C=C(N)ON1C1CCCCC1C.
What is the InChIKey of 2-(2-methylcyclohexyl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The InChIKey is MJBVZJYVOPMSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-10-5-3-4-6-12(10)17-13(9-14(16)18-17)15-11(2)7-8-19-15/h7-10,12-13H,3-6,16H2,1-2H3.
What are the key properties of 2-(2-methylcyclohexyl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
2-(2-methylcyclohexyl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine has a molecular weight of 278.42 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclohexyl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).