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

C18H24N2O — CID 79231071

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine
SMILESCc1cccc(C2CC(NC(C)c3c(C)noc3C)C2)c1
InChIInChI=1S/C18H24N2O/c1-11-6-5-7-15(8-11)16-9-17(10-16)19-12(2)18-13(3)20-21-14(18)4/h5-8,12,16-17,19H,9-10H2,1-4H3
InChIKeyZDCBMWMRHYQSGU-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.20
Rot. Bonds4

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

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine (PubChem CID 79231071) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine
PubChem CID79231071
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine
SMILESCc1cccc(C2CC(NC(C)c3c(C)noc3C)C2)c1
InChIInChI=1S/C18H24N2O/c1-11-6-5-7-15(8-11)16-9-17(10-16)19-12(2)18-13(3)20-21-14(18)4/h5-8,12,16-17,19H,9-10H2,1-4H3
InChIKeyZDCBMWMRHYQSGU-UHFFFAOYSA-N
XLogP4.20
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine (CID 79231071) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine is Cc1cccc(C2CC(NC(C)c3c(C)noc3C)C2)c1.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine?
The InChIKey is ZDCBMWMRHYQSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-11-6-5-7-15(8-11)16-9-17(10-16)19-12(2)18-13(3)20-21-14(18)4/h5-8,12,16-17,19H,9-10H2,1-4H3.
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 79231071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).