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

C16H20N2O — CID 103096808

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine
SMILESCc1ccc(C2CC(NCc3ncc(C)o3)C2)cc1
InChIInChI=1S/C16H20N2O/c1-11-3-5-13(6-4-11)14-7-15(8-14)17-10-16-18-9-12(2)19-16/h3-6,9,14-15,17H,7-8,10H2,1-2H3
InChIKeyXUFCNGUPXQDGGF-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.33
Rot. Bonds4

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

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine (PubChem CID 103096808) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine
PubChem CID103096808
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine
SMILESCc1ccc(C2CC(NCc3ncc(C)o3)C2)cc1
InChIInChI=1S/C16H20N2O/c1-11-3-5-13(6-4-11)14-7-15(8-14)17-10-16-18-9-12(2)19-16/h3-6,9,14-15,17H,7-8,10H2,1-2H3
InChIKeyXUFCNGUPXQDGGF-UHFFFAOYSA-N
XLogP3.33
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
CID 62997224
4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine
CID 103275539
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine
CID 103275167
3-(4-methylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
CID 114955168
N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepan-4-amine
CID 106369501
3-(4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclobutan-1-amine
CID 61016617
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 103275527
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenylpiperidin-4-amine
CID 103096785
3-[[[3-(4-methylphenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol
CID 66005603
N-(cyclohexylmethyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43635351
N-butyl-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633076
N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633160

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine (CID 103096808) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine is Cc1ccc(C2CC(NCc3ncc(C)o3)C2)cc1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine?
The InChIKey is XUFCNGUPXQDGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-3-5-13(6-4-11)14-7-15(8-14)17-10-16-18-9-12(2)19-16/h3-6,9,14-15,17H,7-8,10H2,1-2H3.
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 103096808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).