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

C22H22N2OS — CID 141063608

IUPAC2-(1,2-diphenylethyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
SMILESCc1ccc(C2C=C(N)ON2C(Cc2ccccc2)c2ccccc2)s1
InChIInChI=1S/C22H22N2OS/c1-16-12-13-21(26-16)20-15-22(23)25-24(20)19(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-13,15,19-20H,14,23H2,1H3
InChIKeyFEVIIYPWLRTACZ-UHFFFAOYSA-N
MW362.50 g/mol
LogP5.13
Rot. Bonds5

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

2-(1,2-diphenylethyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine (PubChem CID 141063608) has the molecular formula C22H22N2OS and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-(1,2-diphenylethyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name2-(1,2-diphenylethyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
PubChem CID141063608
Molecular FormulaC22H22N2OS
Molecular Weight362.50 g/mol
Exact Mass362.15
IUPAC Name2-(1,2-diphenylethyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
SMILESCc1ccc(C2C=C(N)ON2C(Cc2ccccc2)c2ccccc2)s1
InChIInChI=1S/C22H22N2OS/c1-16-12-13-21(26-16)20-15-22(23)25-24(20)19(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-13,15,19-20H,14,23H2,1H3
InChIKeyFEVIIYPWLRTACZ-UHFFFAOYSA-N
XLogP5.13
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-ethylthiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine
CID 141063447
2-(1,2-diphenylethyl)pyrazol-3-amine
CID 24708915
N-[(5-methylthiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63012085
1-(1,2-diphenylethyl)benzotriazole
CID 3713183
(4-amino-3-hydroxy-5,6-diphenylhexyl)carbamic acid
CID 68975919
N-(2-hydroxy-3-phenylpropyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 111102637
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
4-[2-(dimethylamino)-2-phenylethyl]aniline;dihydrochloride
CID 24847056
N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine
CID 4715520
4-[3-(4-aminophenyl)-2-phenylpropyl]aniline
CID 175589044
1-(3,5-dimethylphenyl)-2-phenylethanamine
CID 60917697
(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-phenylpropanamide
CID 78995785

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-diphenylethyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 2-(1,2-diphenylethyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine (CID 141063608) is 2-(1,2-diphenylethyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 2-(1,2-diphenylethyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 2-(1,2-diphenylethyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine is Cc1ccc(C2C=C(N)ON2C(Cc2ccccc2)c2ccccc2)s1.
What is the InChIKey of 2-(1,2-diphenylethyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The InChIKey is FEVIIYPWLRTACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2OS/c1-16-12-13-21(26-16)20-15-22(23)25-24(20)19(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-13,15,19-20H,14,23H2,1H3.
What are the key properties of 2-(1,2-diphenylethyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
2-(1,2-diphenylethyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine has a molecular weight of 362.50 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-diphenylethyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).