2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide

C17H15FN2O3S — CID 6622562

IUPAC2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COCc1cc(-c2ccc(F)cc2)on1)NCc1cccs1
InChIInChI=1S/C17H15FN2O3S/c18-13-5-3-12(4-6-13)16-8-14(20-23-16)10-22-11-17(21)19-9-15-2-1-7-24-15/h1-8H,9-11H2,(H,19,21)
InChIKeyLRSBKBVNIWEVRT-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.38
Rot. Bonds7

About 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide

2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 6622562) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID6622562
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC Name2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COCc1cc(-c2ccc(F)cc2)on1)NCc1cccs1
InChIInChI=1S/C17H15FN2O3S/c18-13-5-3-12(4-6-13)16-8-14(20-23-16)10-22-11-17(21)19-9-15-2-1-7-24-15/h1-8H,9-11H2,(H,19,21)
InChIKeyLRSBKBVNIWEVRT-UHFFFAOYSA-N
XLogP3.38
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methoxyphenyl)-N-(thien-2-ylmethyl)isoxazole-3-carboxamide
CID 16188597
5-(4-methylphenyl)-N-(2-thienylmethyl)-3-isoxazolecarboxamide
CID 1093788
N-[(4-fluorophenyl)methyl]-2-[(5-(2-thienyl)isoxazol-3-yl)methoxy]acetamide
CID 16020739
N-(3-chloro-4-methylphenyl)-2-[(5-(2-thienyl)isoxazol-3-yl)methoxy]acetamide
CID 16020766
N-[(2-chlorophenyl)methyl]-2-[(5-(2-thienyl)isoxazol-3-yl)methoxy]acetamide
CID 16020796
N-cyclohexyl-2-[(5-(2-thienyl)isoxazol-3-yl)methoxy]acetamide
CID 17254143
N-(2-methylcyclohexyl)-2-[(5-(2-thienyl)isoxazol-3-yl)methoxy]acetamide
CID 17254214
5-phenyl-N-(2-thienylmethyl)-3-isoxazolecarboxamide
CID 973872
N-(4-fluorobenzyl)-5-thien-2-ylisoxazole-3-carboxamide
CID 3236697
N-(1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3240914
2-(2-((5-(Thiophen-2-yl)isoxazol-3-yl)methoxy)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 17254167
Methyl 2-{2-[(5-(2-thienyl)isoxazol-3-yl)methoxy]acetylamino}benzoate
CID 16020737

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide (CID 6622562) is 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide is O=C(COCc1cc(-c2ccc(F)cc2)on1)NCc1cccs1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is LRSBKBVNIWEVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c18-13-5-3-12(4-6-13)16-8-14(20-23-16)10-22-11-17(21)19-9-15-2-1-7-24-15/h1-8H,9-11H2,(H,19,21).
What are the key properties of 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide?
2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 346.38 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 6622562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).