N-methyl-1-[4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine

C11H12N2OS — CID 106926421

IUPACN-methyl-1-[4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine
SMILESCNCc1ccc(Sc2ncco2)cc1
InChIInChI=1S/C11H12N2OS/c1-12-8-9-2-4-10(5-3-9)15-11-13-6-7-14-11/h2-7,12H,8H2,1H3
InChIKeyLIFRURMWYWHMDH-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.55
Rot. Bonds4

About N-methyl-1-[4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine

N-methyl-1-[4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine (PubChem CID 106926421) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is N-methyl-1-[4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine
PubChem CID106926421
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC NameN-methyl-1-[4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine
SMILESCNCc1ccc(Sc2ncco2)cc1
InChIInChI=1S/C11H12N2OS/c1-12-8-9-2-4-10(5-3-9)15-11-13-6-7-14-11/h2-7,12H,8H2,1H3
InChIKeyLIFRURMWYWHMDH-UHFFFAOYSA-N
XLogP2.55
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine
CID 106926441
1-[5-chloro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]-N-methylmethanamine
CID 106926417
1-[1,3-dimethyl-5-(1,3-oxazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine
CID 106926425
N-methyl-1-[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine
CID 106927384
N-methyl-1-(6-pyridin-4-ylsulfanyl-3-pyridinyl)methanamine
CID 80650935
N-methyl-1-[4-(2-methylhydrazinyl)sulfanylphenyl]methanamine
CID 142522590
5-(ethylaminomethyl)-2-(1,3-oxazol-2-ylsulfanyl)benzonitrile
CID 114063963
N-[[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine
CID 106926423
N-methyl-1-(6-phenylsulfanyl-3-pyridinyl)methanamine
CID 79016211
2-methyl-N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]propan-2-amine
CID 106926551
N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine
CID 106926520
2-amino-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile
CID 106921446

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine (CID 106926421) is N-methyl-1-[4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine is CNCc1ccc(Sc2ncco2)cc1.
What is the InChIKey of N-methyl-1-[4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine?
The InChIKey is LIFRURMWYWHMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-12-8-9-2-4-10(5-3-9)15-11-13-6-7-14-11/h2-7,12H,8H2,1H3.
What are the key properties of N-methyl-1-[4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine?
N-methyl-1-[4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine has a molecular weight of 220.30 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine is sourced from PubChem (CID 106926421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).