4-methyl-3-(oxan-4-yl)-1,2-oxazol-5-amine

C9H14N2O2 — CID 62906909

IUPAC4-methyl-3-(oxan-4-yl)-1,2-oxazol-5-amine
SMILESCc1c(C2CCOCC2)noc1N
InChIInChI=1S/C9H14N2O2/c1-6-8(11-13-9(6)10)7-2-4-12-5-3-7/h7H,2-5,10H2,1H3
InChIKeyROCOXESJNLSOFA-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.46
Rot. Bonds1

About 4-methyl-3-(oxan-4-yl)-1,2-oxazol-5-amine

4-methyl-3-(oxan-4-yl)-1,2-oxazol-5-amine (PubChem CID 62906909) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-methyl-3-(oxan-4-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-methyl-3-(oxan-4-yl)-1,2-oxazol-5-amine
PubChem CID62906909
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-methyl-3-(oxan-4-yl)-1,2-oxazol-5-amine
SMILESCc1c(C2CCOCC2)noc1N
InChIInChI=1S/C9H14N2O2/c1-6-8(11-13-9(6)10)7-2-4-12-5-3-7/h7H,2-5,10H2,1H3
InChIKeyROCOXESJNLSOFA-UHFFFAOYSA-N
XLogP1.46
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(oxan-4-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-methyl-3-(oxan-4-yl)-1,2-oxazol-5-amine (CID 62906909) is 4-methyl-3-(oxan-4-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-methyl-3-(oxan-4-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-methyl-3-(oxan-4-yl)-1,2-oxazol-5-amine is Cc1c(C2CCOCC2)noc1N.
What is the InChIKey of 4-methyl-3-(oxan-4-yl)-1,2-oxazol-5-amine?
The InChIKey is ROCOXESJNLSOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6-8(11-13-9(6)10)7-2-4-12-5-3-7/h7H,2-5,10H2,1H3.
What are the key properties of 4-methyl-3-(oxan-4-yl)-1,2-oxazol-5-amine?
4-methyl-3-(oxan-4-yl)-1,2-oxazol-5-amine has a molecular weight of 182.22 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(oxan-4-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 62906909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).