4-amino-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide

C13H16N4O2 — CID 102978698

IUPAC4-amino-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
SMILESCc1nc(CCNC(=O)c2ccc(N)c(C)c2)no1
InChIInChI=1S/C13H16N4O2/c1-8-7-10(3-4-11(8)14)13(18)15-6-5-12-16-9(2)19-17-12/h3-4,7H,5-6,14H2,1-2H3,(H,15,18)
InChIKeyYCQGRRADUBUBGP-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.24
Rot. Bonds4

About 4-amino-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide

4-amino-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide (PubChem CID 102978698) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-amino-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
PubChem CID102978698
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-amino-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
SMILESCc1nc(CCNC(=O)c2ccc(N)c(C)c2)no1
InChIInChI=1S/C13H16N4O2/c1-8-7-10(3-4-11(8)14)13(18)15-6-5-12-16-9(2)19-17-12/h3-4,7H,5-6,14H2,1-2H3,(H,15,18)
InChIKeyYCQGRRADUBUBGP-UHFFFAOYSA-N
XLogP1.24
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106413272
2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
CID 114186911
4-amino-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106413248
4-(2-aminoethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106415935
3-chloro-4-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 103736148
2-amino-4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106422845
3-amino-5-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106413224
4-fluoro-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 103820316
4-amino-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106391499
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide
CID 106422861
5-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide
CID 106416216
3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 114185662

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The IUPAC name of 4-amino-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide (CID 102978698) is 4-amino-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-amino-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The canonical SMILES for 4-amino-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide is Cc1nc(CCNC(=O)c2ccc(N)c(C)c2)no1.
What is the InChIKey of 4-amino-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The InChIKey is YCQGRRADUBUBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8-7-10(3-4-11(8)14)13(18)15-6-5-12-16-9(2)19-17-12/h3-4,7H,5-6,14H2,1-2H3,(H,15,18).
What are the key properties of 4-amino-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide?
4-amino-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide has a molecular weight of 260.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 102978698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).