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

C19H17N3O2 — CID 10018845

IUPACN-cyclopropyl-4-methyl-3-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc(-c2nnco2)cc1
InChIInChI=1S/C19H17N3O2/c1-12-2-3-15(18(23)21-16-8-9-16)10-17(12)13-4-6-14(7-5-13)19-22-20-11-24-19/h2-7,10-11,16H,8-9H2,1H3,(H,21,23)
InChIKeyGHDOOBTTWRGZFE-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.60
Rot. Bonds4

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

N-cyclopropyl-4-methyl-3-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 10018845) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID10018845
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-cyclopropyl-4-methyl-3-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc(-c2nnco2)cc1
InChIInChI=1S/C19H17N3O2/c1-12-2-3-15(18(23)21-16-8-9-16)10-17(12)13-4-6-14(7-5-13)19-22-20-11-24-19/h2-7,10-11,16H,8-9H2,1H3,(H,21,23)
InChIKeyGHDOOBTTWRGZFE-UHFFFAOYSA-N
XLogP3.60
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 10018845) is N-cyclopropyl-4-methyl-3-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc(-c2nnco2)cc1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is GHDOOBTTWRGZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-12-2-3-15(18(23)21-16-8-9-16)10-17(12)13-4-6-14(7-5-13)19-22-20-11-24-19/h2-7,10-11,16H,8-9H2,1H3,(H,21,23).
What are the key properties of N-cyclopropyl-4-methyl-3-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide?
N-cyclopropyl-4-methyl-3-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 319.36 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 10018845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).