2-fluoro-4,5-dimethoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline

C16H15FN2O3S — CID 71985209

IUPAC2-fluoro-4,5-dimethoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline
SMILESCOc1cc(F)c(NCc2ncc(-c3cccs3)o2)cc1OC
InChIInChI=1S/C16H15FN2O3S/c1-20-12-6-10(17)11(7-13(12)21-2)18-9-16-19-8-14(22-16)15-4-3-5-23-15/h3-8,18H,9H2,1-2H3
InChIKeySXUHHRSYVXGPTA-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.17
Rot. Bonds6

About 2-fluoro-4,5-dimethoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline

2-fluoro-4,5-dimethoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline (PubChem CID 71985209) has the molecular formula C16H15FN2O3S and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-fluoro-4,5-dimethoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-4,5-dimethoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline
PubChem CID71985209
Molecular FormulaC16H15FN2O3S
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC Name2-fluoro-4,5-dimethoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline
SMILESCOc1cc(F)c(NCc2ncc(-c3cccs3)o2)cc1OC
InChIInChI=1S/C16H15FN2O3S/c1-20-12-6-10(17)11(7-13(12)21-2)18-9-16-19-8-14(22-16)15-4-3-5-23-15/h3-8,18H,9H2,1-2H3
InChIKeySXUHHRSYVXGPTA-UHFFFAOYSA-N
XLogP4.17
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzoxazepine
CID 119042782
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 29492956
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 34112468
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 46690675
N-[3-(difluoromethoxy)-4-methoxyphenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55706537
N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55713796
methyl N-[2-fluoro-5-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate
CID 71985213
N-[4,5-difluoro-2-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]acetamide
CID 71985218
2-fluoro-5-methoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline
CID 97054773
N-(2,3-Dihydro-1,4-benzodioxin-6-YL)-5-(thiophen-2-YL)-1,3-oxazole-4-carboxamide
CID 16669239
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-{[5-methyl-2-(2-thienyl)-1,3-oxazol-4-yl]methyl}-3-piperidinamine
CID 45192403
N-(1,3-benzodioxol-5-yl)-5-(2-ethyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide
CID 169284611

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,5-dimethoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline?
The IUPAC name of 2-fluoro-4,5-dimethoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline (CID 71985209) is 2-fluoro-4,5-dimethoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline.
What is the SMILES notation for 2-fluoro-4,5-dimethoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline?
The canonical SMILES for 2-fluoro-4,5-dimethoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline is COc1cc(F)c(NCc2ncc(-c3cccs3)o2)cc1OC.
What is the InChIKey of 2-fluoro-4,5-dimethoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline?
The InChIKey is SXUHHRSYVXGPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3S/c1-20-12-6-10(17)11(7-13(12)21-2)18-9-16-19-8-14(22-16)15-4-3-5-23-15/h3-8,18H,9H2,1-2H3.
What are the key properties of 2-fluoro-4,5-dimethoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline?
2-fluoro-4,5-dimethoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline has a molecular weight of 334.37 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,5-dimethoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline is sourced from PubChem (CID 71985209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).