N-methyl-1,3-oxazol-5-amine

C4H6N2O — CID 53401340

IUPACN-methyl-1,3-oxazol-5-amine
SMILESCNc1cnco1
InChIInChI=1S/C4H6N2O/c1-5-4-2-6-3-7-4/h2-3,5H,1H3
InChIKeyWRYWNOIBWZGSHQ-UHFFFAOYSA-N
MW98.10 g/mol
LogP0.72
Rot. Bonds1

About N-methyl-1,3-oxazol-5-amine

N-methyl-1,3-oxazol-5-amine (PubChem CID 53401340) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is N-methyl-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-methyl-1,3-oxazol-5-amine
PubChem CID53401340
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC NameN-methyl-1,3-oxazol-5-amine
SMILESCNc1cnco1
InChIInChI=1S/C4H6N2O/c1-5-4-2-6-3-7-4/h2-3,5H,1H3
InChIKeyWRYWNOIBWZGSHQ-UHFFFAOYSA-N
XLogP0.72
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,3-oxazol-5-amine?
The IUPAC name of N-methyl-1,3-oxazol-5-amine (CID 53401340) is N-methyl-1,3-oxazol-5-amine.
What is the SMILES notation for N-methyl-1,3-oxazol-5-amine?
The canonical SMILES for N-methyl-1,3-oxazol-5-amine is CNc1cnco1.
What is the InChIKey of N-methyl-1,3-oxazol-5-amine?
The InChIKey is WRYWNOIBWZGSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O/c1-5-4-2-6-3-7-4/h2-3,5H,1H3.
What are the key properties of N-methyl-1,3-oxazol-5-amine?
N-methyl-1,3-oxazol-5-amine has a molecular weight of 98.10 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,3-oxazol-5-amine is sourced from PubChem (CID 53401340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).