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

C16H14F2N2O2S — CID 78833758

IUPAC2-(difluoromethoxy)-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline
SMILESCc1oc(-c2cccs2)nc1CNc1ccccc1OC(F)F
InChIInChI=1S/C16H14F2N2O2S/c1-10-12(20-15(21-10)14-7-4-8-23-14)9-19-11-5-2-3-6-13(11)22-16(17)18/h2-8,16,19H,9H2,1H3
InChIKeyHVUKLWGUNBEFFK-UHFFFAOYSA-N
MW336.36 g/mol
LogP4.93
Rot. Bonds6

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

2-(difluoromethoxy)-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline (PubChem CID 78833758) has the molecular formula C16H14F2N2O2S and a molecular weight of 336.36 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline
PubChem CID78833758
Molecular FormulaC16H14F2N2O2S
Molecular Weight336.36 g/mol
Exact Mass336.07
IUPAC Name2-(difluoromethoxy)-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline
SMILESCc1oc(-c2cccs2)nc1CNc1ccccc1OC(F)F
InChIInChI=1S/C16H14F2N2O2S/c1-10-12(20-15(21-10)14-7-4-8-23-14)9-19-11-5-2-3-6-13(11)22-16(17)18/h2-8,16,19H,9H2,1H3
InChIKeyHVUKLWGUNBEFFK-UHFFFAOYSA-N
XLogP4.93
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(difluoromethoxy)-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline with MolForge

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Related Compounds

2,3-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline
CID 78833688
2,5-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline
CID 78833686
5-methyl-4-[(2-methylphenoxy)methyl]-2-thiophen-2-yl-1,3-oxazole
CID 55511571
2-methyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-nitroaniline
CID 78833748
4-(chloromethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 5076491
3-methyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]butanoic acid
CID 43468711
N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 75502429
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(methylamino)benzoate
CID 24651519
2-(difluoromethoxy)-N-[(5-methylfuran-2-yl)methyl]aniline
CID 28623990
2-(difluoromethoxy)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103741993
4-(2-bromoethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 23352157
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(difluoromethoxy)aniline
CID 115686029

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline?
The IUPAC name of 2-(difluoromethoxy)-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline (CID 78833758) is 2-(difluoromethoxy)-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-(difluoromethoxy)-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline?
The canonical SMILES for 2-(difluoromethoxy)-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline is Cc1oc(-c2cccs2)nc1CNc1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline?
The InChIKey is HVUKLWGUNBEFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2S/c1-10-12(20-15(21-10)14-7-4-8-23-14)9-19-11-5-2-3-6-13(11)22-16(17)18/h2-8,16,19H,9H2,1H3.
What are the key properties of 2-(difluoromethoxy)-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline?
2-(difluoromethoxy)-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline has a molecular weight of 336.36 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline is sourced from PubChem (CID 78833758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).