1-(4-chlorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine

C13H15ClN2OS — CID 106922073

IUPAC1-(4-chlorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine
SMILESCc1coc(SC(c2ccc(Cl)cc2)C(C)N)n1
InChIInChI=1S/C13H15ClN2OS/c1-8-7-17-13(16-8)18-12(9(2)15)10-3-5-11(14)6-4-10/h3-7,9,12H,15H2,1-2H3
InChIKeyNOQHUCHVJIOKEX-UHFFFAOYSA-N
MW282.80 g/mol
LogP3.82
Rot. Bonds4

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

1-(4-chlorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine (PubChem CID 106922073) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine
PubChem CID106922073
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC Name1-(4-chlorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine
SMILESCc1coc(SC(c2ccc(Cl)cc2)C(C)N)n1
InChIInChI=1S/C13H15ClN2OS/c1-8-7-17-13(16-8)18-12(9(2)15)10-3-5-11(14)6-4-10/h3-7,9,12H,15H2,1-2H3
InChIKeyNOQHUCHVJIOKEX-UHFFFAOYSA-N
XLogP3.82
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
CID 106922037
1-(4-chlorophenyl)-1-(2-methylphenyl)sulfanylpropan-2-amine
CID 55015536
1-[3-chloro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine
CID 106923212
1-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)propan-2-amine
CID 63538416
1-(4-methoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine
CID 55052965
1-(2-bromophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
CID 106922077
N,3-dimethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-phenylbutan-1-amine
CID 106927798
2-[2-amino-1-(4-chlorophenyl)propyl]sulfanyl-1H-pyrimidin-6-one
CID 55015255
1-(4-bromophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine
CID 62255431
N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
CID 106927737
3-[2-amino-1-(4-chlorophenyl)propyl]sulfanylpropane-1,2-diol
CID 79682481
1-(4-bromophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine
CID 63537905

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine (CID 106922073) is 1-(4-chlorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine is Cc1coc(SC(c2ccc(Cl)cc2)C(C)N)n1.
What is the InChIKey of 1-(4-chlorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine?
The InChIKey is NOQHUCHVJIOKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c1-8-7-17-13(16-8)18-12(9(2)15)10-3-5-11(14)6-4-10/h3-7,9,12H,15H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine?
1-(4-chlorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine has a molecular weight of 282.80 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine is sourced from PubChem (CID 106922073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).