(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-methylbenzoyl)amino]acetate

C19H17N3O4 — CID 4855133

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-methylbenzoyl)amino]acetate
SMILESCc1cccc(C(=O)NCC(=O)OCc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C19H17N3O4/c1-13-6-5-9-15(10-13)18(24)20-11-17(23)25-12-16-21-22-19(26-16)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,20,24)
InChIKeyAOYACZZYQOORLZ-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.52
Rot. Bonds6

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-methylbenzoyl)amino]acetate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-methylbenzoyl)amino]acetate (PubChem CID 4855133) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-methylbenzoyl)amino]acetate
PubChem CID4855133
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-methylbenzoyl)amino]acetate
SMILESCc1cccc(C(=O)NCC(=O)OCc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C19H17N3O4/c1-13-6-5-9-15(10-13)18(24)20-11-17(23)25-12-16-21-22-19(26-16)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,20,24)
InChIKeyAOYACZZYQOORLZ-UHFFFAOYSA-N
XLogP2.52
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-methylbenzoyl)amino]acetate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-methylbenzoyl)amino]acetate (CID 4855133) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-methylbenzoyl)amino]acetate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-methylbenzoyl)amino]acetate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-methylbenzoyl)amino]acetate is Cc1cccc(C(=O)NCC(=O)OCc2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-methylbenzoyl)amino]acetate?
The InChIKey is AOYACZZYQOORLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-13-6-5-9-15(10-13)18(24)20-11-17(23)25-12-16-21-22-19(26-16)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,20,24).
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-methylbenzoyl)amino]acetate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-methylbenzoyl)amino]acetate has a molecular weight of 351.36 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 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 2-[(3-methylbenzoyl)amino]acetate is sourced from PubChem (CID 4855133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).