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

C17H22N4O3 — CID 3275344

IUPAC2-(1-aminopropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
SMILESCCC(N)c1nc(C(=O)Nc2ccc(N3CCOCC3)cc2)co1
InChIInChI=1S/C17H22N4O3/c1-2-14(18)17-20-15(11-24-17)16(22)19-12-3-5-13(6-4-12)21-7-9-23-10-8-21/h3-6,11,14H,2,7-10,18H2,1H3,(H,19,22)
InChIKeyLYCPFKHMQZRCLD-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.17
Rot. Bonds5

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

2-(1-aminopropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 3275344) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(1-aminopropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminopropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID3275344
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-(1-aminopropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
SMILESCCC(N)c1nc(C(=O)Nc2ccc(N3CCOCC3)cc2)co1
InChIInChI=1S/C17H22N4O3/c1-2-14(18)17-20-15(11-24-17)16(22)19-12-3-5-13(6-4-12)21-7-9-23-10-8-21/h3-6,11,14H,2,7-10,18H2,1H3,(H,19,22)
InChIKeyLYCPFKHMQZRCLD-UHFFFAOYSA-N
XLogP2.17
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.17
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-aminobutyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
CID 3261325
2-(1-amino-3-methylsulfanylpropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
CID 3710412
2-(1-aminopropyl)-N-(4-tert-butylphenyl)-1,3-oxazole-4-carboxamide
CID 3780432
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
(2S,3S)-2-amino-3-methyl-N-(4-morpholin-4-ylphenyl)pentanamide
CID 58441866
2-(1-amino-3-methylbutyl)-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 3435152
2-(1-aminopentyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 3859480
1-ethyl-N-(4-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide
CID 121066972
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
2-(1-aminopropyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3832403
[2-(1-aminopropyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 3859728

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminopropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide (CID 3275344) is 2-(1-aminopropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminopropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminopropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide is CCC(N)c1nc(C(=O)Nc2ccc(N3CCOCC3)cc2)co1.
What is the InChIKey of 2-(1-aminopropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is LYCPFKHMQZRCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-2-14(18)17-20-15(11-24-17)16(22)19-12-3-5-13(6-4-12)21-7-9-23-10-8-21/h3-6,11,14H,2,7-10,18H2,1H3,(H,19,22).
What are the key properties of 2-(1-aminopropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide?
2-(1-aminopropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3275344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).