N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

C15H24N2O2 — CID 79236773

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCc1noc(C)c1CNC1C2CCCOC2C1(C)C
InChIInChI=1S/C15H24N2O2/c1-9-12(10(2)19-17-9)8-16-13-11-6-5-7-18-14(11)15(13,3)4/h11,13-14,16H,5-8H2,1-4H3
InChIKeyHGERBIDKUINJOE-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.58
Rot. Bonds3

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 79236773) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID79236773
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCc1noc(C)c1CNC1C2CCCOC2C1(C)C
InChIInChI=1S/C15H24N2O2/c1-9-12(10(2)19-17-9)8-16-13-11-6-5-7-18-14(11)15(13,3)4/h11,13-14,16H,5-8H2,1-4H3
InChIKeyHGERBIDKUINJOE-UHFFFAOYSA-N
XLogP2.58
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine with MolForge

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Related Compounds

(1R,5R,6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
CID 124880699
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[4.5]decan-8-amine
CID 114817757
N-[(3-ethyltriazol-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 167761931
N-(2-methoxy-2-methylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 113352197
trans-(1R,2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]cyclopentan-1-ol
CID 102733691
2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-methylethanesulfonamide
CID 102676232
N-(1,3-benzodioxol-4-ylmethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863249
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64738720
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43183574
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 78915034
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpiperidin-4-amine
CID 43215966
cis-(1S,3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylcyclopentan-1-amine
CID 97039099

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (CID 79236773) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is Cc1noc(C)c1CNC1C2CCCOC2C1(C)C.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is HGERBIDKUINJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-9-12(10(2)19-17-9)8-16-13-11-6-5-7-18-14(11)15(13,3)4/h11,13-14,16H,5-8H2,1-4H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 264.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 79236773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).