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

C15H17N3O4 — CID 26682168

IUPAC(5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(3-methylbenzoyl)amino]propanoate
SMILESCc1cccc(C(=O)NCCC(=O)OCc2nnc(C)o2)c1
InChIInChI=1S/C15H17N3O4/c1-10-4-3-5-12(8-10)15(20)16-7-6-14(19)21-9-13-18-17-11(2)22-13/h3-5,8H,6-7,9H2,1-2H3,(H,16,20)
InChIKeySLYYUAAOKZLLHP-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.55
Rot. Bonds6

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

(5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(3-methylbenzoyl)amino]propanoate (PubChem CID 26682168) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(3-methylbenzoyl)amino]propanoate.

Molecular Properties

Compound Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(3-methylbenzoyl)amino]propanoate
PubChem CID26682168
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(3-methylbenzoyl)amino]propanoate
SMILESCc1cccc(C(=O)NCCC(=O)OCc2nnc(C)o2)c1
InChIInChI=1S/C15H17N3O4/c1-10-4-3-5-12(8-10)15(20)16-7-6-14(19)21-9-13-18-17-11(2)22-13/h3-5,8H,6-7,9H2,1-2H3,(H,16,20)
InChIKeySLYYUAAOKZLLHP-UHFFFAOYSA-N
XLogP1.55
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methylsulfanylphenyl)methyl 3-[(3-methylbenzoyl)amino]propanoate
CID 31457139
[2-(trifluoromethyl)phenyl]methyl 3-[(3-methylbenzoyl)amino]propanoate
CID 25494057
nonyl 3-[(3-methylbenzoyl)amino]propanoate
CID 91710771
3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 68670377
(3-methylphenyl)methyl 3-[(4-bromobenzoyl)amino]propanoate
CID 8574720
methyl 3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoate
CID 60637105
methyl 3-[(3-carbamoylbenzoyl)amino]propanoate
CID 47159745
butyl 3-[2-(3-methylbenzoyl)hydrazinyl]propanoate
CID 42631180
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-[(4-chlorobenzoyl)amino]propanoate
CID 30518885
tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate
CID 71248417
N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbenzamide
CID 110320940
N-[3-(tert-butylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191330

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(3-methylbenzoyl)amino]propanoate?
The IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(3-methylbenzoyl)amino]propanoate (CID 26682168) is (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(3-methylbenzoyl)amino]propanoate.
What is the SMILES notation for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(3-methylbenzoyl)amino]propanoate?
The canonical SMILES for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(3-methylbenzoyl)amino]propanoate is Cc1cccc(C(=O)NCCC(=O)OCc2nnc(C)o2)c1.
What is the InChIKey of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(3-methylbenzoyl)amino]propanoate?
The InChIKey is SLYYUAAOKZLLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-10-4-3-5-12(8-10)15(20)16-7-6-14(19)21-9-13-18-17-11(2)22-13/h3-5,8H,6-7,9H2,1-2H3,(H,16,20).
What are the key properties of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(3-methylbenzoyl)amino]propanoate?
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(3-methylbenzoyl)amino]propanoate has a molecular weight of 303.32 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(3-methylbenzoyl)amino]propanoate is sourced from PubChem (CID 26682168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).