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

C13H22N2O2 — CID 83033067

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine
SMILESCc1nc(CNC2CCOC(C)(C)C2)oc1C
InChIInChI=1S/C13H22N2O2/c1-9-10(2)17-12(15-9)8-14-11-5-6-16-13(3,4)7-11/h11,14H,5-8H2,1-4H3
InChIKeyPPCUPUGJHXQPAJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.34
Rot. Bonds3

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine (PubChem CID 83033067) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine
PubChem CID83033067
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine
SMILESCc1nc(CNC2CCOC(C)(C)C2)oc1C
InChIInChI=1S/C13H22N2O2/c1-9-10(2)17-12(15-9)8-14-11-5-6-16-13(3,4)7-11/h11,14H,5-8H2,1-4H3
InChIKeyPPCUPUGJHXQPAJ-UHFFFAOYSA-N
XLogP2.34
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine (CID 83033067) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine is Cc1nc(CNC2CCOC(C)(C)C2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine?
The InChIKey is PPCUPUGJHXQPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9-10(2)17-12(15-9)8-14-11-5-6-16-13(3,4)7-11/h11,14H,5-8H2,1-4H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine has a molecular weight of 238.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 83033067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).