1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methylpropan-2-amine

C14H17ClN2OS — CID 66229491

IUPAC1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methylpropan-2-amine
SMILESCC(C)(N)CSCc1coc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H17ClN2OS/c1-14(2,16)9-19-8-12-7-18-13(17-12)10-3-5-11(15)6-4-10/h3-7H,8-9,16H2,1-2H3
InChIKeyFUWFASMDIKPWCN-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.97
Rot. Bonds5

About 1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methylpropan-2-amine

1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methylpropan-2-amine (PubChem CID 66229491) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is 1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methylpropan-2-amine
PubChem CID66229491
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methylpropan-2-amine
SMILESCC(C)(N)CSCc1coc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H17ClN2OS/c1-14(2,16)9-19-8-12-7-18-13(17-12)10-3-5-11(15)6-4-10/h3-7H,8-9,16H2,1-2H3
InChIKeyFUWFASMDIKPWCN-UHFFFAOYSA-N
XLogP3.97
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methylpropan-2-amine
CID 66230660
3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methylpropan-1-ol
CID 66104930
N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 60682858
4-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanylmethyl]benzonitrile
CID 38639388
5-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 33080782
2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-prop-2-enylacetamide
CID 38639607
N'-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 62687553
2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]butanoic acid
CID 105352747
2-amino-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]propanoic acid
CID 43414264
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]-1,3-benzoxazole
CID 39411765
2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(4-cyanophenyl)acetamide
CID 38639522

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methylpropan-2-amine (CID 66229491) is 1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methylpropan-2-amine is CC(C)(N)CSCc1coc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methylpropan-2-amine?
The InChIKey is FUWFASMDIKPWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-14(2,16)9-19-8-12-7-18-13(17-12)10-3-5-11(15)6-4-10/h3-7H,8-9,16H2,1-2H3.
What are the key properties of 1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methylpropan-2-amine?
1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methylpropan-2-amine has a molecular weight of 296.82 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66229491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).