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

C19H26N4O3 — CID 36968871

IUPAC3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCc1cc(CN(C)CCC(=O)Nc2ccc(N3CCOCC3)cc2)no1
InChIInChI=1S/C19H26N4O3/c1-15-13-17(21-26-15)14-22(2)8-7-19(24)20-16-3-5-18(6-4-16)23-9-11-25-12-10-23/h3-6,13H,7-12,14H2,1-2H3,(H,20,24)
InChIKeyOJUMWGLMAIWMKB-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.28
Rot. Bonds7

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

3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 36968871) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID36968871
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCc1cc(CN(C)CCC(=O)Nc2ccc(N3CCOCC3)cc2)no1
InChIInChI=1S/C19H26N4O3/c1-15-13-17(21-26-15)14-22(2)8-7-19(24)20-16-3-5-18(6-4-16)23-9-11-25-12-10-23/h3-6,13H,7-12,14H2,1-2H3,(H,20,24)
InChIKeyOJUMWGLMAIWMKB-UHFFFAOYSA-N
XLogP2.28
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.28
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-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 55481956
3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 56526675
2-(5-methyl-1,2-oxazol-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110424986
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-(5-methyl-1,2-oxazol-3-yl)-N-(3-morpholin-4-ylphenyl)acetamide
CID 110612975
3-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-sulfamoylphenyl)propanamide
CID 55362471
2-(5-methyl-1,2-oxazol-3-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide
CID 110621001
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4818824
3-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 61252883
2-[(2,5-dimethylphenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592750
methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate
CID 51985182

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide (CID 36968871) is 3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide is Cc1cc(CN(C)CCC(=O)Nc2ccc(N3CCOCC3)cc2)no1.
What is the InChIKey of 3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is OJUMWGLMAIWMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-15-13-17(21-26-15)14-22(2)8-7-19(24)20-16-3-5-18(6-4-16)23-9-11-25-12-10-23/h3-6,13H,7-12,14H2,1-2H3,(H,20,24).
What are the key properties of 3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide?
3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 358.44 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 36968871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).