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

C17H19N7O2 — CID 119072785

IUPACN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide
SMILESCc1nnnn1Cc1ccc(C(=O)NCCc2nc(C3CC3)no2)cc1
InChIInChI=1S/C17H19N7O2/c1-11-20-22-23-24(11)10-12-2-4-14(5-3-12)17(25)18-9-8-15-19-16(21-26-15)13-6-7-13/h2-5,13H,6-10H2,1H3,(H,18,25)
InChIKeyMHQJWVUQQHKVSZ-UHFFFAOYSA-N
MW353.39 g/mol
LogP1.26
Rot. Bonds7

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

N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide (PubChem CID 119072785) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide
PubChem CID119072785
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC NameN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide
SMILESCc1nnnn1Cc1ccc(C(=O)NCCc2nc(C3CC3)no2)cc1
InChIInChI=1S/C17H19N7O2/c1-11-20-22-23-24(11)10-12-2-4-14(5-3-12)17(25)18-9-8-15-19-16(21-26-15)13-6-7-13/h2-5,13H,6-10H2,1H3,(H,18,25)
InChIKeyMHQJWVUQQHKVSZ-UHFFFAOYSA-N
XLogP1.26
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[[(2S)-2-methylpyrrolidin-1-ium-1-yl]methyl]cyclopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 134819777
2-fluoro-N-(3-{methyl[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino}-3-oxopropyl)benzamide
CID 46982150
2-fluoro-N-{3-[[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl](methyl)amino]-3-oxopropyl}benzamide
CID 70767817
N-methyl-4-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide
CID 72122933
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dimethylbenzamide
CID 91907181
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbenzamide
CID 91917580
"N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide"
CID 91917594
3-[(1-Benzoylpyrrolidin-3-YL)methyl]-5-cyclopropyl-1,2,4-oxadiazole
CID 110196098
N-[2-(5-Cyclopropyl-1,2,4-oxadiazol-3-YL)ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 124072251
N-{2-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-YL]ethyl}benzamide
CID 83288843
4-(aminomethyl)-N-[2-(1-methyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 118788703
N-[2-(5-isopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1-isopropyl-1H-1,2,4-triazol-5-yl)benzamide
CID 124218440

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide?
The IUPAC name of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide (CID 119072785) is N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide?
The canonical SMILES for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide is Cc1nnnn1Cc1ccc(C(=O)NCCc2nc(C3CC3)no2)cc1.
What is the InChIKey of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide?
The InChIKey is MHQJWVUQQHKVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-11-20-22-23-24(11)10-12-2-4-14(5-3-12)17(25)18-9-8-15-19-16(21-26-15)13-6-7-13/h2-5,13H,6-10H2,1H3,(H,18,25).
What are the key properties of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide?
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide has a molecular weight of 353.39 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 119072785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).