2-(1-aminobutyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide

C18H24N4O3 — CID 3261325

IUPAC2-(1-aminobutyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
SMILESCCCC(N)c1nc(C(=O)Nc2ccc(N3CCOCC3)cc2)co1
InChIInChI=1S/C18H24N4O3/c1-2-3-15(19)18-21-16(12-25-18)17(23)20-13-4-6-14(7-5-13)22-8-10-24-11-9-22/h4-7,12,15H,2-3,8-11,19H2,1H3,(H,20,23)
InChIKeyUJKXZANUYOCSSY-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.56
Rot. Bonds6

About 2-(1-aminobutyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide

2-(1-aminobutyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 3261325) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-(1-aminobutyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminobutyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID3261325
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name2-(1-aminobutyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
SMILESCCCC(N)c1nc(C(=O)Nc2ccc(N3CCOCC3)cc2)co1
InChIInChI=1S/C18H24N4O3/c1-2-3-15(19)18-21-16(12-25-18)17(23)20-13-4-6-14(7-5-13)22-8-10-24-11-9-22/h4-7,12,15H,2-3,8-11,19H2,1H3,(H,20,23)
InChIKeyUJKXZANUYOCSSY-UHFFFAOYSA-N
XLogP2.56
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
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

2-(1-aminopropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
CID 3275344
2-(1-amino-3-methylsulfanylpropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
CID 3710412
2-(1-aminopentyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 3859480
2-[(1S)-1-aminoethyl]-N-[(2R)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxobutan-2-yl]-1,3-oxazole-4-carboxamide
CID 141228350
2-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
CID 3854955
2-(1-aminopropyl)-N-(4-tert-butylphenyl)-1,3-oxazole-4-carboxamide
CID 3780432
2-(1-aminobutyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 5156440
2-(1-aminopentyl)-N-(3-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3861776
2-(1-amino-3-methylbutyl)-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 3435152
1-ethyl-N-(4-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide
CID 121066972
2-(1-aminobutyl)-N-[(2-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3829499
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminobutyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminobutyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide (CID 3261325) is 2-(1-aminobutyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminobutyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminobutyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide is CCCC(N)c1nc(C(=O)Nc2ccc(N3CCOCC3)cc2)co1.
What is the InChIKey of 2-(1-aminobutyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is UJKXZANUYOCSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-2-3-15(19)18-21-16(12-25-18)17(23)20-13-4-6-14(7-5-13)22-8-10-24-11-9-22/h4-7,12,15H,2-3,8-11,19H2,1H3,(H,20,23).
What are the key properties of 2-(1-aminobutyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide?
2-(1-aminobutyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminobutyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3261325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).