2-[(3,4-difluorophenyl)methyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine

C15H14F2N2OS — CID 141063401

IUPAC2-[(3,4-difluorophenyl)methyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
SMILESCc1ccsc1C1C=C(N)ON1Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H14F2N2OS/c1-9-4-5-21-15(9)13-7-14(18)20-19(13)8-10-2-3-11(16)12(17)6-10/h2-7,13H,8,18H2,1H3
InChIKeyNACRQAUQJOICNV-UHFFFAOYSA-N
MW308.35 g/mol
LogP3.62
Rot. Bonds3

About 2-[(3,4-difluorophenyl)methyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine

2-[(3,4-difluorophenyl)methyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine (PubChem CID 141063401) has the molecular formula C15H14F2N2OS and a molecular weight of 308.35 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
PubChem CID141063401
Molecular FormulaC15H14F2N2OS
Molecular Weight308.35 g/mol
Exact Mass308.08
IUPAC Name2-[(3,4-difluorophenyl)methyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
SMILESCc1ccsc1C1C=C(N)ON1Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H14F2N2OS/c1-9-4-5-21-15(9)13-7-14(18)20-19(13)8-10-2-3-11(16)12(17)6-10/h2-7,13H,8,18H2,1H3
InChIKeyNACRQAUQJOICNV-UHFFFAOYSA-N
XLogP3.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Fluorophenyl)-4-thiophen-2-yl-2,3-dihydro-1,3-thiazol-5-amine
CID 71085702
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 2-[(3,4-difluorophenyl)methyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine (CID 141063401) is 2-[(3,4-difluorophenyl)methyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 2-[(3,4-difluorophenyl)methyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine is Cc1ccsc1C1C=C(N)ON1Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-[(3,4-difluorophenyl)methyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The InChIKey is NACRQAUQJOICNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2OS/c1-9-4-5-21-15(9)13-7-14(18)20-19(13)8-10-2-3-11(16)12(17)6-10/h2-7,13H,8,18H2,1H3.
What are the key properties of 2-[(3,4-difluorophenyl)methyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
2-[(3,4-difluorophenyl)methyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine has a molecular weight of 308.35 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).