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

C14H16N4O3 — CID 46998360

IUPACN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)NCc2nnc(C)o2)c1
InChIInChI=1S/C14H16N4O3/c1-3-12(19)16-11-6-4-5-10(7-11)14(20)15-8-13-18-17-9(2)21-13/h4-7H,3,8H2,1-2H3,(H,15,20)(H,16,19)
InChIKeyCJUAKQWSLNYAQB-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.66
Rot. Bonds5

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

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(propanoylamino)benzamide (PubChem CID 46998360) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(propanoylamino)benzamide
PubChem CID46998360
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)NCc2nnc(C)o2)c1
InChIInChI=1S/C14H16N4O3/c1-3-12(19)16-11-6-4-5-10(7-11)14(20)15-8-13-18-17-9(2)21-13/h4-7H,3,8H2,1-2H3,(H,15,20)(H,16,19)
InChIKeyCJUAKQWSLNYAQB-UHFFFAOYSA-N
XLogP1.66
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 68670377
3,4-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318313
1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110318337
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 166185552
N-(2-acetamidoethyl)-3-(propanoylamino)benzamide
CID 47265307
3-acetamido-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 110660302
3-(propanoylamino)-N-prop-2-enylbenzamide
CID 47265411
N-(3-acetylphenyl)propanamide
CID 903063
N-benzyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54844304
N-(4-acetamidophenyl)-3-(propanoylamino)benzamide
CID 17309669
3-bromo-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110368262
N-[(5-bromo-2-fluorophenyl)methyl]-3-(propanoylamino)benzamide
CID 55829981

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(propanoylamino)benzamide?
The IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(propanoylamino)benzamide (CID 46998360) is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(propanoylamino)benzamide.
What is the SMILES notation for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(propanoylamino)benzamide?
The canonical SMILES for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(propanoylamino)benzamide is CCC(=O)Nc1cccc(C(=O)NCc2nnc(C)o2)c1.
What is the InChIKey of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(propanoylamino)benzamide?
The InChIKey is CJUAKQWSLNYAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-3-12(19)16-11-6-4-5-10(7-11)14(20)15-8-13-18-17-9(2)21-13/h4-7H,3,8H2,1-2H3,(H,15,20)(H,16,19).
What are the key properties of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(propanoylamino)benzamide?
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(propanoylamino)benzamide has a molecular weight of 288.31 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(propanoylamino)benzamide is sourced from PubChem (CID 46998360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).