N-methyl-1-(1,2-oxazol-5-yl)methanamine

C5H8N2O — CID 23006271

IUPACN-methyl-1-(1,2-oxazol-5-yl)methanamine
SMILESCNCc1ccno1
InChIInChI=1S/C5H8N2O/c1-6-4-5-2-3-7-8-5/h2-3,6H,4H2,1H3
InChIKeyUGRLOJZDADNMRI-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.39
Rot. Bonds2

About N-methyl-1-(1,2-oxazol-5-yl)methanamine

N-methyl-1-(1,2-oxazol-5-yl)methanamine (PubChem CID 23006271) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is N-methyl-1-(1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1,2-oxazol-5-yl)methanamine
PubChem CID23006271
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC NameN-methyl-1-(1,2-oxazol-5-yl)methanamine
SMILESCNCc1ccno1
InChIInChI=1S/C5H8N2O/c1-6-4-5-2-3-7-8-5/h2-3,6H,4H2,1H3
InChIKeyUGRLOJZDADNMRI-UHFFFAOYSA-N
XLogP0.39
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methylisoxazole
CID 79833
N-(1,2-oxazol-5-ylmethyl)cyclooctanamine
CID 103604816
Isoxazol-5-ylmethanamine hydrochloride
CID 18442593
1-(1,2-Oxazol-5-yl)methanamine
CID 18442594
N'-[(3-fluoro-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 70457956
2,2,2-trifluoro-N-(1,2-oxazol-5-ylmethyl)acetamide
CID 104600349
5-(Isocyanomethyl)-1,2-oxazole
CID 138967837
3,3,3-Trifluoro-2-methyl-2-(1,2-oxazol-5-ylmethylamino)propanoic acid
CID 79789409
2,2-difluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 103829349
1-(1,2-Oxazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 103951484
N-(1,2-oxazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 104600393
1,1-difluoro-N-(1,2-oxazol-5-ylmethyl)propan-2-amine
CID 106414984

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(1,2-oxazol-5-yl)methanamine (CID 23006271) is N-methyl-1-(1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(1,2-oxazol-5-yl)methanamine is CNCc1ccno1.
What is the InChIKey of N-methyl-1-(1,2-oxazol-5-yl)methanamine?
The InChIKey is UGRLOJZDADNMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-6-4-5-2-3-7-8-5/h2-3,6H,4H2,1H3.
What are the key properties of N-methyl-1-(1,2-oxazol-5-yl)methanamine?
N-methyl-1-(1,2-oxazol-5-yl)methanamine has a molecular weight of 112.13 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 23006271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).