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

C19H17N3O4 — CID 24687363

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylbenzoyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C19H17N3O4/c1-13-7-9-14(10-8-13)18(24)20-11-17(23)25-12-16-21-22-19(26-16)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,20,24)
InChIKeyPHCVQJAIDDGVKJ-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.52
Rot. Bonds6

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

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylbenzoyl)amino]acetate (PubChem CID 24687363) 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-[(4-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylbenzoyl)amino]acetate
PubChem CID24687363
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylbenzoyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C19H17N3O4/c1-13-7-9-14(10-8-13)18(24)20-11-17(23)25-12-16-21-22-19(26-16)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,20,24)
InChIKeyPHCVQJAIDDGVKJ-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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Related Compounds

(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(hydroxymethyl)benzoate
CID 2403875
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl benzoate
CID 5178828
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-benzamido-3-methylbutanoate
CID 2487892
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2999691
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoate
CID 5237219
oxalic acid;N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 16196763
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(4-methylphenyl)-4-oxobutanoate
CID 16500672
ethyl N-[3-(5-biphenyl-4-yl-1,3,4-oxadiazol-2-yl)propanoyl]-N-methylglycinate
CID 23723750
Methyl 4-{[3-(5-biphenyl-4-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino}butanoate
CID 23724061
[2-Oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 24686214
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 25163806
benzyl N-[(1S)-2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 118722858

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylbenzoyl)amino]acetate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylbenzoyl)amino]acetate (CID 24687363) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylbenzoyl)amino]acetate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylbenzoyl)amino]acetate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylbenzoyl)amino]acetate is Cc1ccc(C(=O)NCC(=O)OCc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylbenzoyl)amino]acetate?
The InChIKey is PHCVQJAIDDGVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-13-7-9-14(10-8-13)18(24)20-11-17(23)25-12-16-21-22-19(26-16)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,20,24).
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylbenzoyl)amino]acetate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-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-[(4-methylbenzoyl)amino]acetate is sourced from PubChem (CID 24687363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).