N-[2-(morpholine-4-carbonyl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C25H28N4O4 — CID 35330593

IUPACN-[2-(morpholine-4-carbonyl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(C)c1ccc(-c2noc(CCC(=O)Nc3ccccc3C(=O)N3CCOCC3)n2)cc1
InChIInChI=1S/C25H28N4O4/c1-17(2)18-7-9-19(10-8-18)24-27-23(33-28-24)12-11-22(30)26-21-6-4-3-5-20(21)25(31)29-13-15-32-16-14-29/h3-10,17H,11-16H2,1-2H3,(H,26,30)
InChIKeyGXINPJREPVQIOE-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.90
Rot. Bonds7

About N-[2-(morpholine-4-carbonyl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[2-(morpholine-4-carbonyl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 35330593) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[2-(morpholine-4-carbonyl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[2-(morpholine-4-carbonyl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID35330593
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-[2-(morpholine-4-carbonyl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(C)c1ccc(-c2noc(CCC(=O)Nc3ccccc3C(=O)N3CCOCC3)n2)cc1
InChIInChI=1S/C25H28N4O4/c1-17(2)18-7-9-19(10-8-18)24-27-23(33-28-24)12-11-22(30)26-21-6-4-3-5-20(21)25(31)29-13-15-32-16-14-29/h3-10,17H,11-16H2,1-2H3,(H,26,30)
InChIKeyGXINPJREPVQIOE-UHFFFAOYSA-N
XLogP3.90
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31122725
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 100762308
N-(2,6-diethylphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31078421
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide
CID 31113619
N-(2,5-dimethylphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31063914
N-(3-chloro-2-morpholin-4-ylphenyl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 41270775
N-[2-(morpholine-4-carbonyl)phenyl]-3-naphthalen-1-ylpropanamide
CID 53278693
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 30663965
N'-(2-nitrophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide
CID 55510710
N-(5-amino-2-methylphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 120568275
N-(4-bromo-2-chlorophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55512552
2,4-difluoro-5-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
CID 56570825

Frequently Asked Questions

What is the IUPAC name of N-[2-(morpholine-4-carbonyl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[2-(morpholine-4-carbonyl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 35330593) is N-[2-(morpholine-4-carbonyl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[2-(morpholine-4-carbonyl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[2-(morpholine-4-carbonyl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccccc3C(=O)N3CCOCC3)n2)cc1.
What is the InChIKey of N-[2-(morpholine-4-carbonyl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is GXINPJREPVQIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-17(2)18-7-9-19(10-8-18)24-27-23(33-28-24)12-11-22(30)26-21-6-4-3-5-20(21)25(31)29-13-15-32-16-14-29/h3-10,17H,11-16H2,1-2H3,(H,26,30).
What are the key properties of N-[2-(morpholine-4-carbonyl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[2-(morpholine-4-carbonyl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 448.52 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(morpholine-4-carbonyl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 35330593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).