N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(oxolan-3-yl)methanamine

C10H16N2O2 — CID 106369698

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(oxolan-3-yl)methanamine
SMILESCc1cnc(CNCC2CCOC2)o1
InChIInChI=1S/C10H16N2O2/c1-8-4-12-10(14-8)6-11-5-9-2-3-13-7-9/h4,9,11H,2-3,5-7H2,1H3
InChIKeyPXIUXXXNNBQOFA-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.11
Rot. Bonds4

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

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(oxolan-3-yl)methanamine (PubChem CID 106369698) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(oxolan-3-yl)methanamine
PubChem CID106369698
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(oxolan-3-yl)methanamine
SMILESCc1cnc(CNCC2CCOC2)o1
InChIInChI=1S/C10H16N2O2/c1-8-4-12-10(14-8)6-11-5-9-2-3-13-7-9/h4,9,11H,2-3,5-7H2,1H3
InChIKeyPXIUXXXNNBQOFA-UHFFFAOYSA-N
XLogP1.11
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275583
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(oxan-3-yl)methanamine
CID 103275367
1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(oxolan-3-yl)urea
CID 106370612
1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275478
N-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 43196113
6-[(oxolan-3-ylmethylamino)methyl]pyridin-3-ol
CID 79781899
N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 61016275
5-methyl-2-(oxan-4-ylsulfanylmethyl)-1,3-oxazole
CID 84590864
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 107911452
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 106369735
N-[(1-ethylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 62126341
2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(oxolan-3-ylmethyl)acetamide
CID 71872578

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(oxolan-3-yl)methanamine?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(oxolan-3-yl)methanamine (CID 106369698) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(oxolan-3-yl)methanamine?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(oxolan-3-yl)methanamine is Cc1cnc(CNCC2CCOC2)o1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(oxolan-3-yl)methanamine?
The InChIKey is PXIUXXXNNBQOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8-4-12-10(14-8)6-11-5-9-2-3-13-7-9/h4,9,11H,2-3,5-7H2,1H3.
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(oxolan-3-yl)methanamine?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(oxolan-3-yl)methanamine has a molecular weight of 196.25 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 106369698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).