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

C13H22N2O2 — CID 106372885

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5,5-dimethyloxolan-2-yl)methanamine
SMILESCc1nc(CNCC2CCC(C)(C)O2)oc1C
InChIInChI=1S/C13H22N2O2/c1-9-10(2)16-12(15-9)8-14-7-11-5-6-13(3,4)17-11/h11,14H,5-8H2,1-4H3
InChIKeyWNSZODHPZMGHGI-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.34
Rot. Bonds4

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5,5-dimethyloxolan-2-yl)methanamine (PubChem CID 106372885) 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]-1-(5,5-dimethyloxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5,5-dimethyloxolan-2-yl)methanamine
PubChem CID106372885
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5,5-dimethyloxolan-2-yl)methanamine
SMILESCc1nc(CNCC2CCC(C)(C)O2)oc1C
InChIInChI=1S/C13H22N2O2/c1-9-10(2)16-12(15-9)8-14-7-11-5-6-13(3,4)17-11/h11,14H,5-8H2,1-4H3
InChIKeyWNSZODHPZMGHGI-UHFFFAOYSA-N
XLogP2.34
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

1-(5,5-dimethyloxolan-2-yl)-N-(naphthalen-1-ylmethyl)methanamine
CID 116521405
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 106372983
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylcyclohexyl)methanamine
CID 102673152
N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine
CID 116521389
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine
CID 83033067
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1,1-dioxothiolan-3-yl)methanamine
CID 54914546
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine
CID 106370529
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 114629596
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]acetonitrile
CID 106372653
(1R,4S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 106370684
1-(5,5-dimethyloxolan-2-yl)-N-[(3-fluorophenyl)methyl]methanamine
CID 116521177
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106400999

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5,5-dimethyloxolan-2-yl)methanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5,5-dimethyloxolan-2-yl)methanamine (CID 106372885) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5,5-dimethyloxolan-2-yl)methanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5,5-dimethyloxolan-2-yl)methanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5,5-dimethyloxolan-2-yl)methanamine is Cc1nc(CNCC2CCC(C)(C)O2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5,5-dimethyloxolan-2-yl)methanamine?
The InChIKey is WNSZODHPZMGHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9-10(2)16-12(15-9)8-14-7-11-5-6-13(3,4)17-11/h11,14H,5-8H2,1-4H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5,5-dimethyloxolan-2-yl)methanamine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5,5-dimethyloxolan-2-yl)methanamine has a molecular weight of 238.33 g/mol, XLogP of 2.34, 4 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]-1-(5,5-dimethyloxolan-2-yl)methanamine is sourced from PubChem (CID 106372885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).