N-[[2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine

C15H18N2OS — CID 106926606

IUPACN-[[2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine
SMILESCc1coc(Sc2ccc(CNC3CC3)c(C)c2)n1
InChIInChI=1S/C15H18N2OS/c1-10-7-14(19-15-17-11(2)9-18-15)6-3-12(10)8-16-13-4-5-13/h3,6-7,9,13,16H,4-5,8H2,1-2H3
InChIKeyFDDFRPWRQNRASK-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.69
Rot. Bonds5

About N-[[2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine

N-[[2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine (PubChem CID 106926606) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[[2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine
PubChem CID106926606
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-[[2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine
SMILESCc1coc(Sc2ccc(CNC3CC3)c(C)c2)n1
InChIInChI=1S/C15H18N2OS/c1-10-7-14(19-15-17-11(2)9-18-15)6-3-12(10)8-16-13-4-5-13/h3,6-7,9,13,16H,4-5,8H2,1-2H3
InChIKeyFDDFRPWRQNRASK-UHFFFAOYSA-N
XLogP3.69
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]cyclopropanamine
CID 114057327
N-[[4-(2,4-dimethylphenyl)sulfanyl-2-methylphenyl]methyl]cyclopropanamine
CID 63804914
N-[(4-cyclopentylsulfanyl-2-methylphenyl)methyl]cyclopropanamine
CID 63814537
2-[2-chloro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine
CID 114065071
N-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]cyclopropanamine
CID 63807198
N-[[4-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 114864936
1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylphenyl]-N-methylmethanamine
CID 63807375
N-[[5-chloro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-1-amine
CID 106926632
N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 62130836
N-[[3-chloro-4-(3,4-dimethylphenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 81160769
[4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-pyridinyl]hydrazine
CID 106928824
2-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzonitrile
CID 107279805

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine (CID 106926606) is N-[[2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine is Cc1coc(Sc2ccc(CNC3CC3)c(C)c2)n1.
What is the InChIKey of N-[[2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine?
The InChIKey is FDDFRPWRQNRASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-7-14(19-15-17-11(2)9-18-15)6-3-12(10)8-16-13-4-5-13/h3,6-7,9,13,16H,4-5,8H2,1-2H3.
What are the key properties of N-[[2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine?
N-[[2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine has a molecular weight of 274.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 106926606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).