3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]butan-1-amine

C14H18N2OS — CID 66227894

IUPAC3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]butan-1-amine
SMILESCC(CCN)SCc1coc(-c2ccccc2)n1
InChIInChI=1S/C14H18N2OS/c1-11(7-8-15)18-10-13-9-17-14(16-13)12-5-3-2-4-6-12/h2-6,9,11H,7-8,10,15H2,1H3
InChIKeyQSGWIJNZKKIRDI-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.31
Rot. Bonds6

About 3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]butan-1-amine

3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]butan-1-amine (PubChem CID 66227894) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]butan-1-amine.

Molecular Properties

Compound Name3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]butan-1-amine
PubChem CID66227894
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]butan-1-amine
SMILESCC(CCN)SCc1coc(-c2ccccc2)n1
InChIInChI=1S/C14H18N2OS/c1-11(7-8-15)18-10-13-9-17-14(16-13)12-5-3-2-4-6-12/h2-6,9,11H,7-8,10,15H2,1H3
InChIKeyQSGWIJNZKKIRDI-UHFFFAOYSA-N
XLogP3.31
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]butanoic acid
CID 66138932
2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]propan-1-amine
CID 66224733
2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-phenylpropanamide
CID 42951264
3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one
CID 164836493
(2S)-2-methyl-3-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]propanoic acid
CID 97087268
3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]butan-2-ol
CID 103706114
N-(2-aminoethyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 119385455
2-phenyl-4-propyl-1,3-oxazole
CID 23537835
4-(iodomethyl)-2-phenyl-1,3-oxazole
CID 15726804
4-(bromomethyl)-2-phenyl-1,3-oxazole
CID 53421463
2-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]propanoic acid
CID 81223346
2-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]propanoic acid
CID 119225340

Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]butan-1-amine?
The IUPAC name of 3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]butan-1-amine (CID 66227894) is 3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]butan-1-amine.
What is the SMILES notation for 3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]butan-1-amine?
The canonical SMILES for 3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]butan-1-amine is CC(CCN)SCc1coc(-c2ccccc2)n1.
What is the InChIKey of 3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]butan-1-amine?
The InChIKey is QSGWIJNZKKIRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-11(7-8-15)18-10-13-9-17-14(16-13)12-5-3-2-4-6-12/h2-6,9,11H,7-8,10,15H2,1H3.
What are the key properties of 3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]butan-1-amine?
3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]butan-1-amine has a molecular weight of 262.38 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]butan-1-amine is sourced from PubChem (CID 66227894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).