methyl 2-(3-cyanophenyl)-2-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]acetate

C16H18N4O3 — CID 75377435

IUPACmethyl 2-(3-cyanophenyl)-2-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]acetate
SMILESCCC(NC(C(=O)OC)c1cccc(C#N)c1)c1noc(C)n1
InChIInChI=1S/C16H18N4O3/c1-4-13(15-18-10(2)23-20-15)19-14(16(21)22-3)12-7-5-6-11(8-12)9-17/h5-8,13-14,19H,4H2,1-3H3
InChIKeyHNIZDCISBMLROX-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.20
Rot. Bonds6

About methyl 2-(3-cyanophenyl)-2-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]acetate

methyl 2-(3-cyanophenyl)-2-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]acetate (PubChem CID 75377435) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is methyl 2-(3-cyanophenyl)-2-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-(3-cyanophenyl)-2-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]acetate
PubChem CID75377435
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Namemethyl 2-(3-cyanophenyl)-2-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]acetate
SMILESCCC(NC(C(=O)OC)c1cccc(C#N)c1)c1noc(C)n1
InChIInChI=1S/C16H18N4O3/c1-4-13(15-18-10(2)23-20-15)19-14(16(21)22-3)12-7-5-6-11(8-12)9-17/h5-8,13-14,19H,4H2,1-3H3
InChIKeyHNIZDCISBMLROX-UHFFFAOYSA-N
XLogP2.20
TPSA101.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-(3-cyanophenyl)-2-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-2-(3-cyanophenyl)-2-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]acetate
CID 96792294
methyl (2S)-2-(3-cyanophenyl)-2-[[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]amino]acetate
CID 96792297
methyl (2R)-2-(3-cyanophenyl)-2-(cyclohexylamino)acetate
CID 97234614
3-cyano-N-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 95379991
methyl (2R)-2-(3-cyanophenyl)-2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]acetate
CID 96798790
1-N,4-N-bis[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzene-1,4-dicarboxamide
CID 166219715
methyl 2-bromo-3-(3-cyanophenyl)-3-hydroxypropanoate
CID 139886311
methyl 2-(3-cyanophenoxy)butanoate
CID 86007369
methyl 3-amino-3-(3-cyanophenyl)propanoate
CID 163277397
ethyl 2-amino-3-(3-cyanophenyl)-3-hydroxypropanoate
CID 66206752
1-(3-cyanophenyl)propyl (2S)-2-(methylamino)propanoate
CID 142791612
(3-cyanophenyl)methyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate
CID 33226134

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-cyanophenyl)-2-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]acetate?
The IUPAC name of methyl 2-(3-cyanophenyl)-2-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]acetate (CID 75377435) is methyl 2-(3-cyanophenyl)-2-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]acetate.
What is the SMILES notation for methyl 2-(3-cyanophenyl)-2-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]acetate?
The canonical SMILES for methyl 2-(3-cyanophenyl)-2-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]acetate is CCC(NC(C(=O)OC)c1cccc(C#N)c1)c1noc(C)n1.
What is the InChIKey of methyl 2-(3-cyanophenyl)-2-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]acetate?
The InChIKey is HNIZDCISBMLROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-4-13(15-18-10(2)23-20-15)19-14(16(21)22-3)12-7-5-6-11(8-12)9-17/h5-8,13-14,19H,4H2,1-3H3.
What are the key properties of methyl 2-(3-cyanophenyl)-2-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]acetate?
methyl 2-(3-cyanophenyl)-2-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]acetate has a molecular weight of 314.35 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-cyanophenyl)-2-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]acetate is sourced from PubChem (CID 75377435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).