N-[4-(diethylamino)phenyl]-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C22H26N4O3 — CID 110330937

IUPACN-[4-(diethylamino)phenyl]-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCc2nc(-c3cccc(OC)c3)no2)cc1
InChIInChI=1S/C22H26N4O3/c1-4-26(5-2)18-11-9-17(10-12-18)23-20(27)13-14-21-24-22(25-29-21)16-7-6-8-19(15-16)28-3/h6-12,15H,4-5,13-14H2,1-3H3,(H,23,27)
InChIKeyRDABPNLIVUOUJW-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.16
Rot. Bonds9

About N-[4-(diethylamino)phenyl]-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[4-(diethylamino)phenyl]-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 110330937) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID110330937
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[4-(diethylamino)phenyl]-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCc2nc(-c3cccc(OC)c3)no2)cc1
InChIInChI=1S/C22H26N4O3/c1-4-26(5-2)18-11-9-17(10-12-18)23-20(27)13-14-21-24-22(25-29-21)16-7-6-8-19(15-16)28-3/h6-12,15H,4-5,13-14H2,1-3H3,(H,23,27)
InChIKeyRDABPNLIVUOUJW-UHFFFAOYSA-N
XLogP4.16
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)propanamide
CID 3723670
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 2041528
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 95990367
N-(2,3-dimethylquinoxalin-6-yl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46980027
N-(2-ethylphenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100760317
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpropanamide
CID 100760326
N-(2-methoxyphenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 2000634
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 100760807
N-(3-methoxyphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51233747
N-(3-methoxyphenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3159529
N-[4-(dimethylamino)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 110330622
N-(5-chloro-2-methoxyphenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100760642

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 110330937) is N-[4-(diethylamino)phenyl]-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CCN(CC)c1ccc(NC(=O)CCc2nc(-c3cccc(OC)c3)no2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is RDABPNLIVUOUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-4-26(5-2)18-11-9-17(10-12-18)23-20(27)13-14-21-24-22(25-29-21)16-7-6-8-19(15-16)28-3/h6-12,15H,4-5,13-14H2,1-3H3,(H,23,27).
What are the key properties of N-[4-(diethylamino)phenyl]-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[4-(diethylamino)phenyl]-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 394.48 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 110330937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).