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

C5H8N2O — CID 22708194

IUPAC(4-methyl-1,3-oxazol-5-yl)methanamine
SMILESCc1ncoc1CN
InChIInChI=1S/C5H8N2O/c1-4-5(2-6)8-3-7-4/h3H,2,6H2,1H3
InChIKeyGKVKHZDHOHYHRG-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.44
Rot. Bonds1

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

(4-methyl-1,3-oxazol-5-yl)methanamine (PubChem CID 22708194) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is (4-methyl-1,3-oxazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-methyl-1,3-oxazol-5-yl)methanamine
PubChem CID22708194
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name(4-methyl-1,3-oxazol-5-yl)methanamine
SMILESCc1ncoc1CN
InChIInChI=1S/C5H8N2O/c1-4-5(2-6)8-3-7-4/h3H,2,6H2,1H3
InChIKeyGKVKHZDHOHYHRG-UHFFFAOYSA-N
XLogP0.44
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dimethyloxazole
CID 30214
4-Methyloxazole-5-carboxamide
CID 78581
(5-Methyl-1,3-oxazol-4-yl)methanamine
CID 57885769
(Dimethyl-1,3-oxazol-5-yl)methanamine hydrochloride
CID 118991322
1-(4-Methyl-1,3-oxazol-5-yl)methanamine hydrochloride
CID 132344081
[5-(Trifluoromethyl)-1,3-oxazol-4-yl]methanamine hydrochloride
CID 137919901
1-(5-Methyl-1,3-oxazol-4-yl)methanamine hydrochloride
CID 72212391
(2-Ethyl-4-methyl-1,3-oxazol-5-yl)methanamine hydrochloride
CID 119031976
1-(4-Ethyl-1,3-oxazol-5-yl)methanamine dihydrochloride
CID 165945971
(5-Ethyloxazol-4-yl)methanamine hydrochloride
CID 170912231
1-Ethyl-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea
CID 75397412
(2,4-Dimethyloxazol-5-yl)methanamine
CID 22343507

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-oxazol-5-yl)methanamine?
The IUPAC name of (4-methyl-1,3-oxazol-5-yl)methanamine (CID 22708194) is (4-methyl-1,3-oxazol-5-yl)methanamine.
What is the SMILES notation for (4-methyl-1,3-oxazol-5-yl)methanamine?
The canonical SMILES for (4-methyl-1,3-oxazol-5-yl)methanamine is Cc1ncoc1CN.
What is the InChIKey of (4-methyl-1,3-oxazol-5-yl)methanamine?
The InChIKey is GKVKHZDHOHYHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-4-5(2-6)8-3-7-4/h3H,2,6H2,1H3.
What are the key properties of (4-methyl-1,3-oxazol-5-yl)methanamine?
(4-methyl-1,3-oxazol-5-yl)methanamine has a molecular weight of 112.13 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-oxazol-5-yl)methanamine is sourced from PubChem (CID 22708194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).