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

C13H20N2OS — CID 141063236

IUPAC2-(3-methylbutan-2-yl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
SMILESCc1ccsc1C1C=C(N)ON1C(C)C(C)C
InChIInChI=1S/C13H20N2OS/c1-8(2)10(4)15-11(7-12(14)16-15)13-9(3)5-6-17-13/h5-8,10-11H,14H2,1-4H3
InChIKeyBLTFVPWXGPFEEO-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.19
Rot. Bonds3

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

2-(3-methylbutan-2-yl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine (PubChem CID 141063236) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-(3-methylbutan-2-yl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name2-(3-methylbutan-2-yl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
PubChem CID141063236
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-(3-methylbutan-2-yl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
SMILESCc1ccsc1C1C=C(N)ON1C(C)C(C)C
InChIInChI=1S/C13H20N2OS/c1-8(2)10(4)15-11(7-12(14)16-15)13-9(3)5-6-17-13/h5-8,10-11H,14H2,1-4H3
InChIKeyBLTFVPWXGPFEEO-UHFFFAOYSA-N
XLogP3.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.19
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-[(3,4-difluorophenyl)methyl]-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063496
3-(3-methylthiophen-2-yl)-2-[[2-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
CID 141063588
2-[(3-fluorophenyl)methyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 154329726
2-[(3-fluorophenyl)methyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 154397935

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-yl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 2-(3-methylbutan-2-yl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine (CID 141063236) is 2-(3-methylbutan-2-yl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 2-(3-methylbutan-2-yl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 2-(3-methylbutan-2-yl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine is Cc1ccsc1C1C=C(N)ON1C(C)C(C)C.
What is the InChIKey of 2-(3-methylbutan-2-yl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The InChIKey is BLTFVPWXGPFEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-8(2)10(4)15-11(7-12(14)16-15)13-9(3)5-6-17-13/h5-8,10-11H,14H2,1-4H3.
What are the key properties of 2-(3-methylbutan-2-yl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
2-(3-methylbutan-2-yl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine has a molecular weight of 252.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-yl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).