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

C16H17FN2OS — CID 154453617

IUPAC3-(5-ethylthiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine
SMILESCCc1ccc(C2C=C(N)ON2Cc2ccccc2F)s1
InChIInChI=1S/C16H17FN2OS/c1-2-12-7-8-15(21-12)14-9-16(18)20-19(14)10-11-5-3-4-6-13(11)17/h3-9,14H,2,10,18H2,1H3
InChIKeyHIZUKWKQDYPODN-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.74
Rot. Bonds4

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

3-(5-ethylthiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine (PubChem CID 154453617) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-(5-ethylthiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-ethylthiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine
PubChem CID154453617
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name3-(5-ethylthiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine
SMILESCCc1ccc(C2C=C(N)ON2Cc2ccccc2F)s1
InChIInChI=1S/C16H17FN2OS/c1-2-12-7-8-15(21-12)14-9-16(18)20-19(14)10-11-5-3-4-6-13(11)17/h3-9,14H,2,10,18H2,1H3
InChIKeyHIZUKWKQDYPODN-UHFFFAOYSA-N
XLogP3.74
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

{[5-(4-Fluorophenyl)thiophen-2-yl]methyl}(propan-2-yl)amine
CID 43214096
{[5-(3-Fluorophenyl)thiophen-2-yl]methyl}(propan-2-yl)amine
CID 43287182
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

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethylthiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-ethylthiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine (CID 154453617) is 3-(5-ethylthiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-ethylthiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-ethylthiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine is CCc1ccc(C2C=C(N)ON2Cc2ccccc2F)s1.
What is the InChIKey of 3-(5-ethylthiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine?
The InChIKey is HIZUKWKQDYPODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-2-12-7-8-15(21-12)14-9-16(18)20-19(14)10-11-5-3-4-6-13(11)17/h3-9,14H,2,10,18H2,1H3.
What are the key properties of 3-(5-ethylthiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine?
3-(5-ethylthiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine has a molecular weight of 304.39 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethylthiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 154453617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).