N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

C23H26N4O3 — CID 38938009

IUPACN-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESO=C(CCCc1ncc(-c2ccccc2)o1)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C23H26N4O3/c28-22(7-4-8-23-26-17-20(30-23)19-5-2-1-3-6-19)25-16-18-9-10-21(24-15-18)27-11-13-29-14-12-27/h1-3,5-6,9-10,15,17H,4,7-8,11-14,16H2,(H,25,28)
InChIKeyAOEHZUDYLCHWLG-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.21
Rot. Bonds8

About N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (PubChem CID 38938009) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
PubChem CID38938009
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESO=C(CCCc1ncc(-c2ccccc2)o1)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C23H26N4O3/c28-22(7-4-8-23-26-17-20(30-23)19-5-2-1-3-6-19)25-16-18-9-10-21(24-15-18)27-11-13-29-14-12-27/h1-3,5-6,9-10,15,17H,4,7-8,11-14,16H2,(H,25,28)
InChIKeyAOEHZUDYLCHWLG-UHFFFAOYSA-N
XLogP3.21
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
CID 43167979
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
CID 38530556
3-indol-1-yl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 18139649
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32587581
N-(1,3-benzothiazol-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 39703940
N-methyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]benzamide
CID 55690441
N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 51958873
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 51317105
3-(1,3-benzodioxol-5-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 17489922
4-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119390880
4-phenoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 38527586
4-(cyclohexylcarbamoylamino)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]butanamide
CID 16615005

Frequently Asked Questions

What is the IUPAC name of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The IUPAC name of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (CID 38938009) is N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.
What is the SMILES notation for N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The canonical SMILES for N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is O=C(CCCc1ncc(-c2ccccc2)o1)NCc1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The InChIKey is AOEHZUDYLCHWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c28-22(7-4-8-23-26-17-20(30-23)19-5-2-1-3-6-19)25-16-18-9-10-21(24-15-18)27-11-13-29-14-12-27/h1-3,5-6,9-10,15,17H,4,7-8,11-14,16H2,(H,25,28).
What are the key properties of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide has a molecular weight of 406.49 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is sourced from PubChem (CID 38938009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).