2-[(3-fluorophenyl)methyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine

C15H15FN2OS — CID 154329726

IUPAC2-[(3-fluorophenyl)methyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
SMILESCc1ccc(C2C=C(N)ON2Cc2cccc(F)c2)s1
InChIInChI=1S/C15H15FN2OS/c1-10-5-6-14(20-10)13-8-15(17)19-18(13)9-11-3-2-4-12(16)7-11/h2-8,13H,9,17H2,1H3
InChIKeyMERKEMIBHUVHHA-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.48
Rot. Bonds3

About 2-[(3-fluorophenyl)methyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine

2-[(3-fluorophenyl)methyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine (PubChem CID 154329726) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
PubChem CID154329726
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name2-[(3-fluorophenyl)methyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
SMILESCc1ccc(C2C=C(N)ON2Cc2cccc(F)c2)s1
InChIInChI=1S/C15H15FN2OS/c1-10-5-6-14(20-10)13-8-15(17)19-18(13)9-11-3-2-4-12(16)7-11/h2-8,13H,9,17H2,1H3
InChIKeyMERKEMIBHUVHHA-UHFFFAOYSA-N
XLogP3.48
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-Dimethylthiophen-3-yl)-N-(3-fluorobenzyl)ethan-1-amine
CID 42956478
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-bromothiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
CID 141063315
3-(5-bromothiophen-2-yl)-2-[[2-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
CID 141063327
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
3-(5-bromothiophen-2-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
CID 141063399
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

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine (CID 154329726) is 2-[(3-fluorophenyl)methyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine is Cc1ccc(C2C=C(N)ON2Cc2cccc(F)c2)s1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The InChIKey is MERKEMIBHUVHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-10-5-6-14(20-10)13-8-15(17)19-18(13)9-11-3-2-4-12(16)7-11/h2-8,13H,9,17H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
2-[(3-fluorophenyl)methyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine has a molecular weight of 290.36 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 154329726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).