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

C14H18N2OS — CID 66224733

IUPAC2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]propan-1-amine
SMILESCC(CN)CSCc1coc(-c2ccccc2)n1
InChIInChI=1S/C14H18N2OS/c1-11(7-15)9-18-10-13-8-17-14(16-13)12-5-3-2-4-6-12/h2-6,8,11H,7,9-10,15H2,1H3
InChIKeyAGGUMFDAHCJMHM-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.17
Rot. Bonds6

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

2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]propan-1-amine (PubChem CID 66224733) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]propan-1-amine
PubChem CID66224733
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]propan-1-amine
SMILESCC(CN)CSCc1coc(-c2ccccc2)n1
InChIInChI=1S/C14H18N2OS/c1-11(7-15)9-18-10-13-8-17-14(16-13)12-5-3-2-4-6-12/h2-6,8,11H,7,9-10,15H2,1H3
InChIKeyAGGUMFDAHCJMHM-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]butan-1-amine
CID 66227894
3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methylpropan-1-ol
CID 66104930
2-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]propanoic acid
CID 81223346
2-amino-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]propanoic acid
CID 43414264
2-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]propanoic acid
CID 119225340
2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole
CID 78860401
3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]butanoic acid
CID 66138932
(2S)-2-methyl-3-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]propanoic acid
CID 97087268
N-(2-aminoethyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 119385455
2-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]-propan-2-ylamino]acetic acid
CID 119198322
4-(benzylsulfanylmethyl)-2-(4-methoxyphenyl)-1,3-oxazole
CID 55542268
2-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propan-1-amine
CID 66225626

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]propan-1-amine?
The IUPAC name of 2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]propan-1-amine (CID 66224733) is 2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]propan-1-amine?
The canonical SMILES for 2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]propan-1-amine is CC(CN)CSCc1coc(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]propan-1-amine?
The InChIKey is AGGUMFDAHCJMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-11(7-15)9-18-10-13-8-17-14(16-13)12-5-3-2-4-6-12/h2-6,8,11H,7,9-10,15H2,1H3.
What are the key properties of 2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]propan-1-amine?
2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]propan-1-amine has a molecular weight of 262.38 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]propan-1-amine is sourced from PubChem (CID 66224733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).