N-(1-cyclopentyl-3-hydroxypropyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

C18H23N3O3 — CID 136567390

IUPACN-(1-cyclopentyl-3-hydroxypropyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1nnc(-c2ccccc2C(=O)NC(CCO)C2CCCC2)o1
InChIInChI=1S/C18H23N3O3/c1-12-20-21-18(24-12)15-9-5-4-8-14(15)17(23)19-16(10-11-22)13-6-2-3-7-13/h4-5,8-9,13,16,22H,2-3,6-7,10-11H2,1H3,(H,19,23)
InChIKeyDCALHENFOUKEKV-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.72
Rot. Bonds6

About N-(1-cyclopentyl-3-hydroxypropyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

N-(1-cyclopentyl-3-hydroxypropyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 136567390) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(1-cyclopentyl-3-hydroxypropyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(1-cyclopentyl-3-hydroxypropyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID136567390
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-(1-cyclopentyl-3-hydroxypropyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1nnc(-c2ccccc2C(=O)NC(CCO)C2CCCC2)o1
InChIInChI=1S/C18H23N3O3/c1-12-20-21-18(24-12)15-9-5-4-8-14(15)17(23)19-16(10-11-22)13-6-2-3-7-13/h4-5,8-9,13,16,22H,2-3,6-7,10-11H2,1H3,(H,19,23)
InChIKeyDCALHENFOUKEKV-UHFFFAOYSA-N
XLogP2.72
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentyl-3-hydroxypropyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-(1-cyclopentyl-3-hydroxypropyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (CID 136567390) is N-(1-cyclopentyl-3-hydroxypropyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-(1-cyclopentyl-3-hydroxypropyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-(1-cyclopentyl-3-hydroxypropyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is Cc1nnc(-c2ccccc2C(=O)NC(CCO)C2CCCC2)o1.
What is the InChIKey of N-(1-cyclopentyl-3-hydroxypropyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is DCALHENFOUKEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-20-21-18(24-12)15-9-5-4-8-14(15)17(23)19-16(10-11-22)13-6-2-3-7-13/h4-5,8-9,13,16,22H,2-3,6-7,10-11H2,1H3,(H,19,23).
What are the key properties of N-(1-cyclopentyl-3-hydroxypropyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
N-(1-cyclopentyl-3-hydroxypropyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 329.40 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentyl-3-hydroxypropyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 136567390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).