3-propoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide

C23H20N4O3 — CID 30330564

IUPAC3-propoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
SMILESCCCOc1cccc(C(=O)Nc2ccccc2-c2nc(-c3ccccn3)no2)c1
InChIInChI=1S/C23H20N4O3/c1-2-14-29-17-9-7-8-16(15-17)22(28)25-19-11-4-3-10-18(19)23-26-21(27-30-23)20-12-5-6-13-24-20/h3-13,15H,2,14H2,1H3,(H,25,28)
InChIKeyLAZGPRXGWCKULH-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.84
Rot. Bonds7

About 3-propoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide

3-propoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide (PubChem CID 30330564) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 3-propoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-propoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
PubChem CID30330564
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name3-propoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
SMILESCCCOc1cccc(C(=O)Nc2ccccc2-c2nc(-c3ccccn3)no2)c1
InChIInChI=1S/C23H20N4O3/c1-2-14-29-17-9-7-8-16(15-17)22(28)25-19-11-4-3-10-18(19)23-26-21(27-30-23)20-12-5-6-13-24-20/h3-13,15H,2,14H2,1H3,(H,25,28)
InChIKeyLAZGPRXGWCKULH-UHFFFAOYSA-N
XLogP4.84
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propoxybenzamide
CID 30330604
3,5-dimethoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330865
3-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30329065
3-butoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330712
4-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30329289
2-methoxy-3-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30334062
N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-propoxybenzamide
CID 2275973
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-methoxybenzamide
CID 4972451
2-methyl-3-nitro-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330120
N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-propoxybenzamide
CID 2298598
N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 30329032
N-[2-(methanesulfonamido)phenyl]-3-propoxybenzamide
CID 51088953

Frequently Asked Questions

What is the IUPAC name of 3-propoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The IUPAC name of 3-propoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide (CID 30330564) is 3-propoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 3-propoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The canonical SMILES for 3-propoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide is CCCOc1cccc(C(=O)Nc2ccccc2-c2nc(-c3ccccn3)no2)c1.
What is the InChIKey of 3-propoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The InChIKey is LAZGPRXGWCKULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-2-14-29-17-9-7-8-16(15-17)22(28)25-19-11-4-3-10-18(19)23-26-21(27-30-23)20-12-5-6-13-24-20/h3-13,15H,2,14H2,1H3,(H,25,28).
What are the key properties of 3-propoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
3-propoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide has a molecular weight of 400.44 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 30330564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).