[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl-phenylcarbamic acid

C17H13F2N3O3 — CID 134584537

IUPAC[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl-phenylcarbamic acid
SMILESO=C(O)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1)c1ccccc1
InChIInChI=1S/C17H13F2N3O3/c18-14(19)16-21-20-15(25-16)12-8-6-11(7-9-12)10-22(17(23)24)13-4-2-1-3-5-13/h1-9,14H,10H2,(H,23,24)
InChIKeyOSYCSHREVLKZMU-UHFFFAOYSA-N
MW345.31 g/mol
LogP4.36
Rot. Bonds5

About [4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl-phenylcarbamic acid

[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl-phenylcarbamic acid (PubChem CID 134584537) has the molecular formula C17H13F2N3O3 and a molecular weight of 345.31 g/mol. Its IUPAC name is [4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl-phenylcarbamic acid.

Molecular Properties

Compound Name[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl-phenylcarbamic acid
PubChem CID134584537
Molecular FormulaC17H13F2N3O3
Molecular Weight345.31 g/mol
Exact Mass345.09
IUPAC Name[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl-phenylcarbamic acid
SMILESO=C(O)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1)c1ccccc1
InChIInChI=1S/C17H13F2N3O3/c18-14(19)16-21-20-15(25-16)12-8-6-11(7-9-12)10-22(17(23)24)13-4-2-1-3-5-13/h1-9,14H,10H2,(H,23,24)
InChIKeyOSYCSHREVLKZMU-UHFFFAOYSA-N
XLogP4.36
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl-phenylcarbamic acid?
The IUPAC name of [4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl-phenylcarbamic acid (CID 134584537) is [4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl-phenylcarbamic acid.
What is the SMILES notation for [4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl-phenylcarbamic acid?
The canonical SMILES for [4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl-phenylcarbamic acid is O=C(O)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1)c1ccccc1.
What is the InChIKey of [4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl-phenylcarbamic acid?
The InChIKey is OSYCSHREVLKZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O3/c18-14(19)16-21-20-15(25-16)12-8-6-11(7-9-12)10-22(17(23)24)13-4-2-1-3-5-13/h1-9,14H,10H2,(H,23,24).
What are the key properties of [4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl-phenylcarbamic acid?
[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl-phenylcarbamic acid has a molecular weight of 345.31 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl-phenylcarbamic acid is sourced from PubChem (CID 134584537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).