N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylphenyl]methyl]-2-methylpropan-1-amine

C17H24N2OS — CID 106926774

IUPACN-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylphenyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(Sc2nc(C)c(C)o2)ccc1CNCC(C)C
InChIInChI=1S/C17H24N2OS/c1-11(2)9-18-10-15-6-7-16(8-12(15)3)21-17-19-13(4)14(5)20-17/h6-8,11,18H,9-10H2,1-5H3
InChIKeyDJTZLJQAGBJZPY-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.50
Rot. Bonds6

About N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylphenyl]methyl]-2-methylpropan-1-amine

N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylphenyl]methyl]-2-methylpropan-1-amine (PubChem CID 106926774) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylphenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylphenyl]methyl]-2-methylpropan-1-amine
PubChem CID106926774
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylphenyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(Sc2nc(C)c(C)o2)ccc1CNCC(C)C
InChIInChI=1S/C17H24N2OS/c1-11(2)9-18-10-15-6-7-16(8-12(15)3)21-17-19-13(4)14(5)20-17/h6-8,11,18H,9-10H2,1-5H3
InChIKeyDJTZLJQAGBJZPY-UHFFFAOYSA-N
XLogP4.50
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylphenyl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[(4-butan-2-ylsulfanyl-2-methylphenyl)methyl]-2-methylpropan-1-amine
CID 63807103
2-methyl-N-[[2-methyl-4-(oxan-4-ylsulfanyl)phenyl]methyl]propan-1-amine
CID 63814244
N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluorophenyl]methyl]propan-1-amine
CID 106926785
2-methyl-N-[[2-methyl-4-(2-methyloxolan-3-yl)sulfanylphenyl]methyl]propan-1-amine
CID 107761312
N-[[4-chloro-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]-2-methoxyethanamine
CID 106926720
N-[[4-bromo-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]-2-methoxyethanamine
CID 106926816
N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine
CID 106926798
2-[3-methyl-4-(propylaminomethyl)phenyl]sulfanylpyrimidine-4,6-diamine
CID 63814936
2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 106924162
(2S)-1-[(2,4-dimethylphenyl)methylamino]propan-2-ol
CID 93033161
1-[4-(1,3-benzoxazol-2-ylsulfanyl)-2-methylphenyl]propan-2-amine
CID 63818440
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)benzoic acid
CID 106926107

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylphenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylphenyl]methyl]-2-methylpropan-1-amine (CID 106926774) is N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylphenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylphenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylphenyl]methyl]-2-methylpropan-1-amine is Cc1cc(Sc2nc(C)c(C)o2)ccc1CNCC(C)C.
What is the InChIKey of N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylphenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is DJTZLJQAGBJZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-11(2)9-18-10-15-6-7-16(8-12(15)3)21-17-19-13(4)14(5)20-17/h6-8,11,18H,9-10H2,1-5H3.
What are the key properties of N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylphenyl]methyl]-2-methylpropan-1-amine?
N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylphenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 304.46 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylphenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 106926774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).