4-(difluoromethoxy)-3-ethoxy-N-(1,3-oxazol-5-ylmethyl)-N-phenylaniline

C19H18F2N2O3 — CID 173089902

IUPAC4-(difluoromethoxy)-3-ethoxy-N-(1,3-oxazol-5-ylmethyl)-N-phenylaniline
SMILESCCOc1cc(N(Cc2cnco2)c2ccccc2)ccc1OC(F)F
InChIInChI=1S/C19H18F2N2O3/c1-2-24-18-10-15(8-9-17(18)26-19(20)21)23(12-16-11-22-13-25-16)14-6-4-3-5-7-14/h3-11,13,19H,2,12H2,1H3
InChIKeyXVMPABCORITFQK-UHFFFAOYSA-N
MW360.36 g/mol
LogP5.01
Rot. Bonds8

About 4-(difluoromethoxy)-3-ethoxy-N-(1,3-oxazol-5-ylmethyl)-N-phenylaniline

4-(difluoromethoxy)-3-ethoxy-N-(1,3-oxazol-5-ylmethyl)-N-phenylaniline (PubChem CID 173089902) has the molecular formula C19H18F2N2O3 and a molecular weight of 360.36 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-ethoxy-N-(1,3-oxazol-5-ylmethyl)-N-phenylaniline.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-ethoxy-N-(1,3-oxazol-5-ylmethyl)-N-phenylaniline
PubChem CID173089902
Molecular FormulaC19H18F2N2O3
Molecular Weight360.36 g/mol
Exact Mass360.13
IUPAC Name4-(difluoromethoxy)-3-ethoxy-N-(1,3-oxazol-5-ylmethyl)-N-phenylaniline
SMILESCCOc1cc(N(Cc2cnco2)c2ccccc2)ccc1OC(F)F
InChIInChI=1S/C19H18F2N2O3/c1-2-24-18-10-15(8-9-17(18)26-19(20)21)23(12-16-11-22-13-25-16)14-6-4-3-5-7-14/h3-11,13,19H,2,12H2,1H3
InChIKeyXVMPABCORITFQK-UHFFFAOYSA-N
XLogP5.01
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.36
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-(difluoromethoxy)-3-ethoxy-N-(1,3-oxazol-5-ylmethyl)anilino]phenyl]acetic acid
CID 59179206
2-[4-[3,4-bis(difluoromethoxy)-N-(pyrazin-2-ylmethyl)anilino]phenyl]acetic acid;2-[3-[4-(difluoromethoxy)-3-ethoxy-N-(1,3-oxazol-5-ylmethyl)anilino]phenyl]acetic acid
CID 160697434
3-[3-(difluoromethoxy)-4-methoxy-N-(1,3-oxazol-5-ylmethyl)anilino]benzoic acid
CID 44603138
ethyl 4-[3-ethoxy-N-(1,3-oxazol-5-ylmethyl)-4-(trifluoromethoxy)anilino]benzoate
CID 68549277
1-[3,4-bis(difluoromethoxy)phenyl]-2-(3,4-dimethoxyphenyl)-1-(1,3-oxazol-5-ylmethyl)-2-(1,3-thiazol-5-ylmethyl)hydrazine
CID 91387047
3-[3-cyclopropyloxy-4-(1-hydroxyethyl)-N-(1,3-oxazol-5-ylmethyl)anilino]benzoic acid
CID 70233242
tert-butyl 4-[4-(difluoromethoxy)-3-ethoxy-N-(pyrazin-2-ylmethyl)anilino]benzoate
CID 68552685
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-bis(difluoromethoxy)-N-phenylaniline
CID 68547693
4-[(6-ethoxy-5-methoxy-2-pyridinyl)-(1,3-oxazol-5-ylmethyl)amino]benzoic acid
CID 15980709
1-[4-[3,4-bis(difluoromethoxy)-N-(pyrimidin-5-ylmethyl)anilino]phenyl]ethanone
CID 59179134
3,4-bis(difluoromethoxy)-N-(1,3-oxazol-5-ylmethyl)aniline
CID 91496231
1-[3-[3,4-bis(difluoromethoxy)-N-(pyridin-3-ylmethyl)anilino]phenyl]ethanone;1-[4-[3,4-bis(difluoromethoxy)-N-(pyridin-3-ylmethyl)anilino]phenyl]ethanone
CID 162260289

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-ethoxy-N-(1,3-oxazol-5-ylmethyl)-N-phenylaniline?
The IUPAC name of 4-(difluoromethoxy)-3-ethoxy-N-(1,3-oxazol-5-ylmethyl)-N-phenylaniline (CID 173089902) is 4-(difluoromethoxy)-3-ethoxy-N-(1,3-oxazol-5-ylmethyl)-N-phenylaniline.
What is the SMILES notation for 4-(difluoromethoxy)-3-ethoxy-N-(1,3-oxazol-5-ylmethyl)-N-phenylaniline?
The canonical SMILES for 4-(difluoromethoxy)-3-ethoxy-N-(1,3-oxazol-5-ylmethyl)-N-phenylaniline is CCOc1cc(N(Cc2cnco2)c2ccccc2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-ethoxy-N-(1,3-oxazol-5-ylmethyl)-N-phenylaniline?
The InChIKey is XVMPABCORITFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O3/c1-2-24-18-10-15(8-9-17(18)26-19(20)21)23(12-16-11-22-13-25-16)14-6-4-3-5-7-14/h3-11,13,19H,2,12H2,1H3.
What are the key properties of 4-(difluoromethoxy)-3-ethoxy-N-(1,3-oxazol-5-ylmethyl)-N-phenylaniline?
4-(difluoromethoxy)-3-ethoxy-N-(1,3-oxazol-5-ylmethyl)-N-phenylaniline has a molecular weight of 360.36 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-ethoxy-N-(1,3-oxazol-5-ylmethyl)-N-phenylaniline is sourced from PubChem (CID 173089902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).