N-[[3-(1,2-oxazol-5-ylmethylsulfanyl)phenyl]methyl]cyclopropanamine

C14H16N2OS — CID 66348106

IUPACN-[[3-(1,2-oxazol-5-ylmethylsulfanyl)phenyl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)cc(SCc2ccno2)c1
InChIInChI=1S/C14H16N2OS/c1-2-11(9-15-12-4-5-12)8-14(3-1)18-10-13-6-7-16-17-13/h1-3,6-8,12,15H,4-5,9-10H2
InChIKeyCITAHZLDSXVXDI-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.22
Rot. Bonds6

About N-[[3-(1,2-oxazol-5-ylmethylsulfanyl)phenyl]methyl]cyclopropanamine

N-[[3-(1,2-oxazol-5-ylmethylsulfanyl)phenyl]methyl]cyclopropanamine (PubChem CID 66348106) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[[3-(1,2-oxazol-5-ylmethylsulfanyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(1,2-oxazol-5-ylmethylsulfanyl)phenyl]methyl]cyclopropanamine
PubChem CID66348106
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-[[3-(1,2-oxazol-5-ylmethylsulfanyl)phenyl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)cc(SCc2ccno2)c1
InChIInChI=1S/C14H16N2OS/c1-2-11(9-15-12-4-5-12)8-14(3-1)18-10-13-6-7-16-17-13/h1-3,6-8,12,15H,4-5,9-10H2
InChIKeyCITAHZLDSXVXDI-UHFFFAOYSA-N
XLogP3.22
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(4-methylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine
CID 66347718
N-[[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine
CID 66347709
2-[3-[(cyclopropylamino)methyl]phenyl]sulfanylacetonitrile
CID 66348489
N-[[3-[(5-bromo-2-fluorophenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine
CID 66349269
N-[[3-[(2-bromophenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine
CID 66347525
4-[[3-[(cyclopropylamino)methyl]phenyl]sulfanylmethyl]pyridine-2-carbonitrile
CID 66349651
N-[[3-(3,3,3-trifluoropropylsulfanyl)phenyl]methyl]cyclopropanamine
CID 66347132
N-[[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]methyl]cyclopropanamine
CID 66348293
5-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpentan-1-ol
CID 66347513
N-[[3-(2-ethylsulfonylethylsulfanyl)phenyl]methyl]cyclopropanamine
CID 66349069
N-[[3-(4-methylpentylsulfanyl)phenyl]methyl]cyclopropanamine
CID 83169209
1-[3-[(cyclopropylamino)methyl]phenyl]sulfanyl-3-methylbutan-2-ol
CID 114250004

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,2-oxazol-5-ylmethylsulfanyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(1,2-oxazol-5-ylmethylsulfanyl)phenyl]methyl]cyclopropanamine (CID 66348106) is N-[[3-(1,2-oxazol-5-ylmethylsulfanyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(1,2-oxazol-5-ylmethylsulfanyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(1,2-oxazol-5-ylmethylsulfanyl)phenyl]methyl]cyclopropanamine is c1cc(CNC2CC2)cc(SCc2ccno2)c1.
What is the InChIKey of N-[[3-(1,2-oxazol-5-ylmethylsulfanyl)phenyl]methyl]cyclopropanamine?
The InChIKey is CITAHZLDSXVXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-2-11(9-15-12-4-5-12)8-14(3-1)18-10-13-6-7-16-17-13/h1-3,6-8,12,15H,4-5,9-10H2.
What are the key properties of N-[[3-(1,2-oxazol-5-ylmethylsulfanyl)phenyl]methyl]cyclopropanamine?
N-[[3-(1,2-oxazol-5-ylmethylsulfanyl)phenyl]methyl]cyclopropanamine has a molecular weight of 260.36 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1,2-oxazol-5-ylmethylsulfanyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 66348106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).