3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide

C22H23ClN4O3 — CID 32587581

IUPAC3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C22H23ClN4O3/c23-18-3-1-17(2-4-18)19-15-26-22(30-19)6-5-21(28)25-14-16-7-8-24-20(13-16)27-9-11-29-12-10-27/h1-4,7-8,13,15H,5-6,9-12,14H2,(H,25,28)
InChIKeyZBTBAPXASQVLCM-UHFFFAOYSA-N
MW426.90 g/mol
LogP3.48
Rot. Bonds7

About 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide (PubChem CID 32587581) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
PubChem CID32587581
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C22H23ClN4O3/c23-18-3-1-17(2-4-18)19-15-26-22(30-19)6-5-21(28)25-14-16-7-8-24-20(13-16)27-9-11-29-12-10-27/h1-4,7-8,13,15H,5-6,9-12,14H2,(H,25,28)
InChIKeyZBTBAPXASQVLCM-UHFFFAOYSA-N
XLogP3.48
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide with MolForge

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Related Compounds

N-[(3-chlorophenyl)methyl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591216
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]propanamide
CID 46480401
4-(2,4-dichlorophenoxy)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585405
N-[(4-chlorophenyl)methyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784775
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
CID 56517601
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide
CID 55638461
N-(3-chloro-2-morpholin-4-ylphenyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 41270984
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38938009
N-[3-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 16601221
N-[(5-methylfuran-2-yl)methyl]-3-(2-morpholin-4-yl-4-pyridinyl)propanamide
CID 53186208
N-[(2-fluorophenyl)methyl]-3-(2-morpholin-4-yl-4-pyridinyl)propanamide
CID 53186022

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide?
The IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide (CID 32587581) is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide is O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCc1ccnc(N2CCOCC2)c1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide?
The InChIKey is ZBTBAPXASQVLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c23-18-3-1-17(2-4-18)19-15-26-22(30-19)6-5-21(28)25-14-16-7-8-24-20(13-16)27-9-11-29-12-10-27/h1-4,7-8,13,15H,5-6,9-12,14H2,(H,25,28).
What are the key properties of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide?
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide has a molecular weight of 426.90 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide is sourced from PubChem (CID 32587581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).