3-(3-methylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine

C18H22N2OS — CID 141063247

IUPAC3-(3-methylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine
SMILESCc1ccsc1C1C=C(N)ON1C(C)CCc1ccccc1
InChIInChI=1S/C18H22N2OS/c1-13-10-11-22-18(13)16-12-17(19)21-20(16)14(2)8-9-15-6-4-3-5-7-15/h3-7,10-12,14,16H,8-9,19H2,1-2H3
InChIKeyAKHNWGBXHPNDIB-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.17
Rot. Bonds5

About 3-(3-methylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine

3-(3-methylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine (PubChem CID 141063247) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 3-(3-methylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-methylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine
PubChem CID141063247
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name3-(3-methylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine
SMILESCc1ccsc1C1C=C(N)ON1C(C)CCc1ccccc1
InChIInChI=1S/C18H22N2OS/c1-13-10-11-22-18(13)16-12-17(19)21-20(16)14(2)8-9-15-6-4-3-5-7-15/h3-7,10-12,14,16H,8-9,19H2,1-2H3
InChIKeyAKHNWGBXHPNDIB-UHFFFAOYSA-N
XLogP4.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methylthiophen-2-yl)methyl]-1-phenylethanamine
CID 3155254
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

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-methylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine (CID 141063247) is 3-(3-methylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-methylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-methylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine is Cc1ccsc1C1C=C(N)ON1C(C)CCc1ccccc1.
What is the InChIKey of 3-(3-methylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine?
The InChIKey is AKHNWGBXHPNDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-13-10-11-22-18(13)16-12-17(19)21-20(16)14(2)8-9-15-6-4-3-5-7-15/h3-7,10-12,14,16H,8-9,19H2,1-2H3.
What are the key properties of 3-(3-methylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine?
3-(3-methylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine has a molecular weight of 314.45 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).