(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine

C5H10N2O — CID 6420656

IUPAC(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
SMILESCC1=NOC(CN)C1
InChIInChI=1S/C5H10N2O/c1-4-2-5(3-6)8-7-4/h5H,2-3,6H2,1H3
InChIKeyWGEHEKHOMIDZQR-UHFFFAOYSA-N
MW114.15 g/mol
LogP0.11
Rot. Bonds1

About (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine

(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine (PubChem CID 6420656) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
PubChem CID6420656
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
SMILESCC1=NOC(CN)C1
InChIInChI=1S/C5H10N2O/c1-4-2-5(3-6)8-7-4/h5H,2-3,6H2,1H3
InChIKeyWGEHEKHOMIDZQR-UHFFFAOYSA-N
XLogP0.11
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine?
The IUPAC name of (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine (CID 6420656) is (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine is CC1=NOC(CN)C1.
What is the InChIKey of (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine?
The InChIKey is WGEHEKHOMIDZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-4-2-5(3-6)8-7-4/h5H,2-3,6H2,1H3.
What are the key properties of (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine?
(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine has a molecular weight of 114.15 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 6420656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).