N-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C23H27N5O3 — CID 31122725

IUPACN-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(C)c1ccc(-c2noc(CCC(=O)Nc3ccc(N4CCOCC4)nc3)n2)cc1
InChIInChI=1S/C23H27N5O3/c1-16(2)17-3-5-18(6-4-17)23-26-22(31-27-23)10-9-21(29)25-19-7-8-20(24-15-19)28-11-13-30-14-12-28/h3-8,15-16H,9-14H2,1-2H3,(H,25,29)
InChIKeyZAHPAOACRFAVGT-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.66
Rot. Bonds7

About N-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 31122725) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID31122725
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(C)c1ccc(-c2noc(CCC(=O)Nc3ccc(N4CCOCC4)nc3)n2)cc1
InChIInChI=1S/C23H27N5O3/c1-16(2)17-3-5-18(6-4-17)23-26-22(31-27-23)10-9-21(29)25-19-7-8-20(24-15-19)28-11-13-30-14-12-28/h3-8,15-16H,9-14H2,1-2H3,(H,25,29)
InChIKeyZAHPAOACRFAVGT-UHFFFAOYSA-N
XLogP3.66
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18149177
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 100762308
N-[2-(morpholine-4-carbonyl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 35330593
N-(2,6-diethylphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31078421
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55710020
N-(4-acetamido-3-chlorophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18209688
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide
CID 31113619
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 30663965
N-(4-morpholin-4-ylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17354680
4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 39180266
3-(2,4-dimethylphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 16613280
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 55407922

Frequently Asked Questions

What is the IUPAC name of N-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 31122725) is N-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccc(N4CCOCC4)nc3)n2)cc1.
What is the InChIKey of N-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is ZAHPAOACRFAVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-16(2)17-3-5-18(6-4-17)23-26-22(31-27-23)10-9-21(29)25-19-7-8-20(24-15-19)28-11-13-30-14-12-28/h3-8,15-16H,9-14H2,1-2H3,(H,25,29).
What are the key properties of N-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 421.50 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 31122725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).