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

C18H24N4O3S — CID 3710412

IUPAC2-(1-amino-3-methylsulfanylpropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
SMILESCSCCC(N)c1nc(C(=O)Nc2ccc(N3CCOCC3)cc2)co1
InChIInChI=1S/C18H24N4O3S/c1-26-11-6-15(19)18-21-16(12-25-18)17(23)20-13-2-4-14(5-3-13)22-7-9-24-10-8-22/h2-5,12,15H,6-11,19H2,1H3,(H,20,23)
InChIKeyNTEUDULMGZYHKU-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.52
Rot. Bonds7

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

2-(1-amino-3-methylsulfanylpropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 3710412) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-(1-amino-3-methylsulfanylpropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-3-methylsulfanylpropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID3710412
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name2-(1-amino-3-methylsulfanylpropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
SMILESCSCCC(N)c1nc(C(=O)Nc2ccc(N3CCOCC3)cc2)co1
InChIInChI=1S/C18H24N4O3S/c1-26-11-6-15(19)18-21-16(12-25-18)17(23)20-13-2-4-14(5-3-13)22-7-9-24-10-8-22/h2-5,12,15H,6-11,19H2,1H3,(H,20,23)
InChIKeyNTEUDULMGZYHKU-UHFFFAOYSA-N
XLogP2.52
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-aminopropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
CID 3275344
2-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
CID 3854955
2-(1-amino-3-methylsulfanylpropyl)-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 3813371
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-(1-aminopentyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 3859480
[2-(1-amino-3-methylsulfanylpropyl)-1,3-oxazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 3863866
2-(1-amino-3-methylsulfanylpropyl)-N-(9H-fluoren-9-yl)-1,3-oxazole-4-carboxamide
CID 3674792
2-(1-aminopropyl)-N-(4-tert-butylphenyl)-1,3-oxazole-4-carboxamide
CID 3780432
2-(1-amino-3-methylsulfanylpropyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3825691
2-(1-amino-3-methylbutyl)-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 3435152
4-tert-butyl-N-[(2S)-4-methylsulfanyl-1-(4-morpholin-4-ylanilino)-1-oxobutan-2-yl]benzamide
CID 25353454

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-methylsulfanylpropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-3-methylsulfanylpropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide (CID 3710412) is 2-(1-amino-3-methylsulfanylpropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-3-methylsulfanylpropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-3-methylsulfanylpropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide is CSCCC(N)c1nc(C(=O)Nc2ccc(N3CCOCC3)cc2)co1.
What is the InChIKey of 2-(1-amino-3-methylsulfanylpropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is NTEUDULMGZYHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-26-11-6-15(19)18-21-16(12-25-18)17(23)20-13-2-4-14(5-3-13)22-7-9-24-10-8-22/h2-5,12,15H,6-11,19H2,1H3,(H,20,23).
What are the key properties of 2-(1-amino-3-methylsulfanylpropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide?
2-(1-amino-3-methylsulfanylpropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-methylsulfanylpropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3710412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).