[4-(1,3,4-oxadiazol-2-yl)phenyl] N,N-diphenylcarbamate

C21H15N3O3 — CID 1178331

IUPAC[4-(1,3,4-oxadiazol-2-yl)phenyl] N,N-diphenylcarbamate
SMILESO=C(Oc1ccc(-c2nnco2)cc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15N3O3/c25-21(27-19-13-11-16(12-14-19)20-23-22-15-26-20)24(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H
InChIKeyGEHDECVGTLMHRD-UHFFFAOYSA-N
MW357.37 g/mol
LogP5.07
Rot. Bonds4

About [4-(1,3,4-oxadiazol-2-yl)phenyl] N,N-diphenylcarbamate

[4-(1,3,4-oxadiazol-2-yl)phenyl] N,N-diphenylcarbamate (PubChem CID 1178331) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is [4-(1,3,4-oxadiazol-2-yl)phenyl] N,N-diphenylcarbamate.

Molecular Properties

Compound Name[4-(1,3,4-oxadiazol-2-yl)phenyl] N,N-diphenylcarbamate
PubChem CID1178331
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC Name[4-(1,3,4-oxadiazol-2-yl)phenyl] N,N-diphenylcarbamate
SMILESO=C(Oc1ccc(-c2nnco2)cc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15N3O3/c25-21(27-19-13-11-16(12-14-19)20-23-22-15-26-20)24(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H
InChIKeyGEHDECVGTLMHRD-UHFFFAOYSA-N
XLogP5.07
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.37
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-phenylprop-2-enoate
CID 7925435
N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 16611578
[4-(1,3,4-oxadiazol-2-yl)phenyl] 5-bromofuran-2-carboxylate
CID 18077233
[4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate
CID 8893959
[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-chlorophenoxy)acetate
CID 8874039
2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556131
[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-naphthalen-1-yloxyacetate
CID 8894462
N-(benzylcarbamoyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7555973
[4-(1,3,4-oxadiazol-2-yl)phenyl] 6-(dimethylamino)pyridine-3-carboxylate
CID 39489515
2-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole
CID 7680870
(2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 7908205
4-(1,3,4-oxadiazol-2-yl)benzamide
CID 43236825

Frequently Asked Questions

What is the IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl] N,N-diphenylcarbamate?
The IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl] N,N-diphenylcarbamate (CID 1178331) is [4-(1,3,4-oxadiazol-2-yl)phenyl] N,N-diphenylcarbamate.
What is the SMILES notation for [4-(1,3,4-oxadiazol-2-yl)phenyl] N,N-diphenylcarbamate?
The canonical SMILES for [4-(1,3,4-oxadiazol-2-yl)phenyl] N,N-diphenylcarbamate is O=C(Oc1ccc(-c2nnco2)cc1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of [4-(1,3,4-oxadiazol-2-yl)phenyl] N,N-diphenylcarbamate?
The InChIKey is GEHDECVGTLMHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3/c25-21(27-19-13-11-16(12-14-19)20-23-22-15-26-20)24(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H.
What are the key properties of [4-(1,3,4-oxadiazol-2-yl)phenyl] N,N-diphenylcarbamate?
[4-(1,3,4-oxadiazol-2-yl)phenyl] N,N-diphenylcarbamate has a molecular weight of 357.37 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3,4-oxadiazol-2-yl)phenyl] N,N-diphenylcarbamate is sourced from PubChem (CID 1178331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).