(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(carbamoylamino)benzoate

C17H14N4O4 — CID 26178971

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(carbamoylamino)benzoate
SMILESNC(=O)Nc1cccc(C(=O)OCc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C17H14N4O4/c18-17(23)19-13-8-4-7-12(9-13)16(22)24-10-14-20-21-15(25-14)11-5-2-1-3-6-11/h1-9H,10H2,(H3,18,19,23)
InChIKeyBYVHJQNPQNKZDZ-UHFFFAOYSA-N
MW338.32 g/mol
LogP2.58
Rot. Bonds5

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(carbamoylamino)benzoate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(carbamoylamino)benzoate (PubChem CID 26178971) has the molecular formula C17H14N4O4 and a molecular weight of 338.32 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(carbamoylamino)benzoate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(carbamoylamino)benzoate
PubChem CID26178971
Molecular FormulaC17H14N4O4
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(carbamoylamino)benzoate
SMILESNC(=O)Nc1cccc(C(=O)OCc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C17H14N4O4/c18-17(23)19-13-8-4-7-12(9-13)16(22)24-10-14-20-21-15(25-14)11-5-2-1-3-6-11/h1-9H,10H2,(H3,18,19,23)
InChIKeyBYVHJQNPQNKZDZ-UHFFFAOYSA-N
XLogP2.58
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8520954
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-bromobenzoate
CID 2642860
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-pyrrol-1-ylbenzoate
CID 47009513
[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-[(3,4-dichlorophenyl)carbamoylamino]benzoate
CID 155968661
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204486
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753629
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-bromo-4-methoxybenzoate
CID 8875963
[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl 3-(methanesulfonamido)benzoate
CID 16558838
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetamidobenzoate
CID 9015747
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-1,3-dioxoisoindole-5-carboxylate
CID 31858135
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2,4,6-trimethylbenzoate
CID 7472802
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-methylpyrazole-4-carboxylate
CID 27926807

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(carbamoylamino)benzoate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(carbamoylamino)benzoate (CID 26178971) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(carbamoylamino)benzoate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(carbamoylamino)benzoate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(carbamoylamino)benzoate is NC(=O)Nc1cccc(C(=O)OCc2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(carbamoylamino)benzoate?
The InChIKey is BYVHJQNPQNKZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O4/c18-17(23)19-13-8-4-7-12(9-13)16(22)24-10-14-20-21-15(25-14)11-5-2-1-3-6-11/h1-9H,10H2,(H3,18,19,23).
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(carbamoylamino)benzoate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(carbamoylamino)benzoate has a molecular weight of 338.32 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(carbamoylamino)benzoate is sourced from PubChem (CID 26178971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).