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

C16H16F2N2OS — CID 141063496

IUPAC2-[(3,4-difluorophenyl)methyl]-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine
SMILESCCc1ccc(C2C=C(N)ON2Cc2ccc(F)c(F)c2)s1
InChIInChI=1S/C16H16F2N2OS/c1-2-11-4-6-15(22-11)14-8-16(19)21-20(14)9-10-3-5-12(17)13(18)7-10/h3-8,14H,2,9,19H2,1H3
InChIKeyUSWIYLRMWDESAJ-UHFFFAOYSA-N
MW322.38 g/mol
LogP3.88
Rot. Bonds4

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

2-[(3,4-difluorophenyl)methyl]-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine (PubChem CID 141063496) has the molecular formula C16H16F2N2OS and a molecular weight of 322.38 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methyl]-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methyl]-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine
PubChem CID141063496
Molecular FormulaC16H16F2N2OS
Molecular Weight322.38 g/mol
Exact Mass322.10
IUPAC Name2-[(3,4-difluorophenyl)methyl]-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine
SMILESCCc1ccc(C2C=C(N)ON2Cc2ccc(F)c(F)c2)s1
InChIInChI=1S/C16H16F2N2OS/c1-2-11-4-6-15(22-11)14-8-16(19)21-20(14)9-10-3-5-12(17)13(18)7-10/h3-8,14H,2,9,19H2,1H3
InChIKeyUSWIYLRMWDESAJ-UHFFFAOYSA-N
XLogP3.88
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 53.88
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-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
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-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 2-[(3,4-difluorophenyl)methyl]-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine (CID 141063496) is 2-[(3,4-difluorophenyl)methyl]-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methyl]-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 2-[(3,4-difluorophenyl)methyl]-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine is CCc1ccc(C2C=C(N)ON2Cc2ccc(F)c(F)c2)s1.
What is the InChIKey of 2-[(3,4-difluorophenyl)methyl]-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The InChIKey is USWIYLRMWDESAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2OS/c1-2-11-4-6-15(22-11)14-8-16(19)21-20(14)9-10-3-5-12(17)13(18)7-10/h3-8,14H,2,9,19H2,1H3.
What are the key properties of 2-[(3,4-difluorophenyl)methyl]-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
2-[(3,4-difluorophenyl)methyl]-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine has a molecular weight of 322.38 g/mol, XLogP of 3.88, 4 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-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).