N-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]furan-2-carboxamide

C20H17F2N5O5 — CID 166366776

IUPACN-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]furan-2-carboxamide
SMILESO=C(NCc1ncoc1C(F)F)c1ccc(Cn2cc(COc3cccc(O)c3)nn2)o1
InChIInChI=1S/C20H17F2N5O5/c21-19(22)18-16(24-11-31-18)7-23-20(29)17-5-4-15(32-17)9-27-8-12(25-26-27)10-30-14-3-1-2-13(28)6-14/h1-6,8,11,19,28H,7,9-10H2,(H,23,29)
InChIKeyVSCXEWBYVKEFPN-UHFFFAOYSA-N
MW445.38 g/mol
LogP3.06
Rot. Bonds9

About N-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]furan-2-carboxamide

N-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]furan-2-carboxamide (PubChem CID 166366776) has the molecular formula C20H17F2N5O5 and a molecular weight of 445.38 g/mol. Its IUPAC name is N-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]furan-2-carboxamide
PubChem CID166366776
Molecular FormulaC20H17F2N5O5
Molecular Weight445.38 g/mol
Exact Mass445.12
IUPAC NameN-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]furan-2-carboxamide
SMILESO=C(NCc1ncoc1C(F)F)c1ccc(Cn2cc(COc3cccc(O)c3)nn2)o1
InChIInChI=1S/C20H17F2N5O5/c21-19(22)18-16(24-11-31-18)7-23-20(29)17-5-4-15(32-17)9-27-8-12(25-26-27)10-30-14-3-1-2-13(28)6-14/h1-6,8,11,19,28H,7,9-10H2,(H,23,29)
InChIKeyVSCXEWBYVKEFPN-UHFFFAOYSA-N
XLogP3.06
TPSA128.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]benzamide
CID 166366840
3-[[1-[[5-(aminomethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]methoxy]phenol
CID 167791251
3-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]phenol
CID 166366791
3-[[1-[(2-tert-butylpyrimidin-5-yl)methyl]triazol-4-yl]methoxy]phenol
CID 166267088
3-[[1-(2H-triazol-4-ylmethyl)triazol-4-yl]methoxy]phenol
CID 167992744
5-(methoxymethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 78875904
3-[[1-(1H-imidazol-5-ylmethyl)triazol-4-yl]methoxy]phenol
CID 166366605
2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 100830161
4-[(3-nitrophenoxy)methyl]-1-[(4-nitrophenyl)methyl]triazole
CID 127038779
N-[(1-ethylpyrazol-4-yl)methyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467233
2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)acetamide
CID 100831239
3-[[1-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol
CID 166366593

Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]furan-2-carboxamide (CID 166366776) is N-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]furan-2-carboxamide is O=C(NCc1ncoc1C(F)F)c1ccc(Cn2cc(COc3cccc(O)c3)nn2)o1.
What is the InChIKey of N-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]furan-2-carboxamide?
The InChIKey is VSCXEWBYVKEFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O5/c21-19(22)18-16(24-11-31-18)7-23-20(29)17-5-4-15(32-17)9-27-8-12(25-26-27)10-30-14-3-1-2-13(28)6-14/h1-6,8,11,19,28H,7,9-10H2,(H,23,29).
What are the key properties of N-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]furan-2-carboxamide?
N-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]furan-2-carboxamide has a molecular weight of 445.38 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 166366776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).