4-(propan-2-yloxymethyl)-1,2-oxazol-5-amine

C7H12N2O2 — CID 105430512

IUPAC4-(propan-2-yloxymethyl)-1,2-oxazol-5-amine
SMILESCC(C)OCc1cnoc1N
InChIInChI=1S/C7H12N2O2/c1-5(2)10-4-6-3-9-11-7(6)8/h3,5H,4,8H2,1-2H3
InChIKeyBNURWSNBXUINNU-UHFFFAOYSA-N
MW156.19 g/mol
LogP1.18
Rot. Bonds3

About 4-(propan-2-yloxymethyl)-1,2-oxazol-5-amine

4-(propan-2-yloxymethyl)-1,2-oxazol-5-amine (PubChem CID 105430512) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 4-(propan-2-yloxymethyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(propan-2-yloxymethyl)-1,2-oxazol-5-amine
PubChem CID105430512
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name4-(propan-2-yloxymethyl)-1,2-oxazol-5-amine
SMILESCC(C)OCc1cnoc1N
InChIInChI=1S/C7H12N2O2/c1-5(2)10-4-6-3-9-11-7(6)8/h3,5H,4,8H2,1-2H3
InChIKeyBNURWSNBXUINNU-UHFFFAOYSA-N
XLogP1.18
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(propan-2-ylsulfonylmethyl)-1,2-oxazol-5-amine
CID 117216202
4-(propan-2-yloxymethyl)-1H-pyrazol-5-amine
CID 105430332
3-methyl-4-(propan-2-yloxymethyl)aniline
CID 117219815
4-ethyl-5-propan-2-yl-1,2-oxazole
CID 118928258
4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine
CID 117216211
4-methyl-3-(propan-2-yloxymethyl)pyridine
CID 58759917
[2-(propan-2-yloxymethyl)phenyl]methanamine
CID 18070374
5-propan-2-yl-1,2-oxazol-4-amine
CID 14341208
2-fluoro-3-(propan-2-yloxymethyl)aniline
CID 107347884
2-methyl-1,3-bis(propan-2-yloxymethyl)benzene
CID 101195448
1-propan-2-yl-5-(propan-2-yloxymethyl)imidazol-2-amine
CID 117193169
2-methyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-amine
CID 104605296

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-yloxymethyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(propan-2-yloxymethyl)-1,2-oxazol-5-amine (CID 105430512) is 4-(propan-2-yloxymethyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(propan-2-yloxymethyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(propan-2-yloxymethyl)-1,2-oxazol-5-amine is CC(C)OCc1cnoc1N.
What is the InChIKey of 4-(propan-2-yloxymethyl)-1,2-oxazol-5-amine?
The InChIKey is BNURWSNBXUINNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-5(2)10-4-6-3-9-11-7(6)8/h3,5H,4,8H2,1-2H3.
What are the key properties of 4-(propan-2-yloxymethyl)-1,2-oxazol-5-amine?
4-(propan-2-yloxymethyl)-1,2-oxazol-5-amine has a molecular weight of 156.19 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-yloxymethyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 105430512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).