4-(difluoromethoxy)-3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide

C16H12F2N2O5 — CID 38465227

IUPAC4-(difluoromethoxy)-3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)ccc1OC(F)F
InChIInChI=1S/C16H12F2N2O5/c1-23-13-6-8(2-4-12(13)24-15(17)18)14(21)19-9-3-5-11-10(7-9)20-16(22)25-11/h2-7,15H,1H3,(H,19,21)(H,20,22)
InChIKeyFREYSOIKXYVNTN-UHFFFAOYSA-N
MW350.28 g/mol
LogP2.98
Rot. Bonds5

About 4-(difluoromethoxy)-3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide

4-(difluoromethoxy)-3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide (PubChem CID 38465227) has the molecular formula C16H12F2N2O5 and a molecular weight of 350.28 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
PubChem CID38465227
Molecular FormulaC16H12F2N2O5
Molecular Weight350.28 g/mol
Exact Mass350.07
IUPAC Name4-(difluoromethoxy)-3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)ccc1OC(F)F
InChIInChI=1S/C16H12F2N2O5/c1-23-13-6-8(2-4-12(13)24-15(17)18)14(21)19-9-3-5-11-10(7-9)20-16(22)25-11/h2-7,15H,1H3,(H,19,21)(H,20,22)
InChIKeyFREYSOIKXYVNTN-UHFFFAOYSA-N
XLogP2.98
TPSA93.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-4-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 134019844
3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-prop-2-enoxybenzamide
CID 134019993
4-methoxy-3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 110607906
2-(difluoromethoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468167
4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide
CID 3461577
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzamide
CID 1000603
4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466226
N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide
CID 4865288
4-(difluoromethoxy)-3-methoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 43014034
4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468547
4-(difluoromethoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methoxybenzamide
CID 37065204

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide (CID 38465227) is 4-(difluoromethoxy)-3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide is COc1cc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is FREYSOIKXYVNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O5/c1-23-13-6-8(2-4-12(13)24-15(17)18)14(21)19-9-3-5-11-10(7-9)20-16(22)25-11/h2-7,15H,1H3,(H,19,21)(H,20,22).
What are the key properties of 4-(difluoromethoxy)-3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
4-(difluoromethoxy)-3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 350.28 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 38465227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).