N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide

C19H17N3O5 — CID 110321850

IUPACN-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1cccc(-c2nnc(CCNC(=O)c3ccc4c(c3)OCO4)o2)c1
InChIInChI=1S/C19H17N3O5/c1-24-14-4-2-3-13(9-14)19-22-21-17(27-19)7-8-20-18(23)12-5-6-15-16(10-12)26-11-25-15/h2-6,9-10H,7-8,11H2,1H3,(H,20,23)
InChIKeyPJXDDNWZGJFSJF-UHFFFAOYSA-N
MW367.36 g/mol
LogP2.45
Rot. Bonds6

About N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide

N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 110321850) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID110321850
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC NameN-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1cccc(-c2nnc(CCNC(=O)c3ccc4c(c3)OCO4)o2)c1
InChIInChI=1S/C19H17N3O5/c1-24-14-4-2-3-13(9-14)19-22-21-17(27-19)7-8-20-18(23)12-5-6-15-16(10-12)26-11-25-15/h2-6,9-10H,7-8,11H2,1H3,(H,20,23)
InChIKeyPJXDDNWZGJFSJF-UHFFFAOYSA-N
XLogP2.45
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321819
4-tert-butyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321827
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 40959640
N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110320840
methyl N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
CID 110321860
2-ethyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]butanamide
CID 110321810
N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide
CID 110321801
N-[2-(3-methoxyphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113099800
3-methoxy-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321720
4-methoxy-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110320666
N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pentanamide
CID 110321805
N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methoxybenzamide
CID 110320949

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide (CID 110321850) is N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide is COc1cccc(-c2nnc(CCNC(=O)c3ccc4c(c3)OCO4)o2)c1.
What is the InChIKey of N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is PJXDDNWZGJFSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5/c1-24-14-4-2-3-13(9-14)19-22-21-17(27-19)7-8-20-18(23)12-5-6-15-16(10-12)26-11-25-15/h2-6,9-10H,7-8,11H2,1H3,(H,20,23).
What are the key properties of N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 367.36 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 110321850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).