2-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazole

C7H7NO3 — CID 141305779

IUPAC2-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazole
SMILESCC1(c2ncco2)OC=CO1
InChIInChI=1S/C7H7NO3/c1-7(10-4-5-11-7)6-8-2-3-9-6/h2-5H,1H3
InChIKeyNVUMNLVPQAQNDR-UHFFFAOYSA-N
MW153.14 g/mol
LogP1.37
Rot. Bonds1

About 2-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazole

2-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazole (PubChem CID 141305779) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 2-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazole
PubChem CID141305779
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name2-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazole
SMILESCC1(c2ncco2)OC=CO1
InChIInChI=1S/C7H7NO3/c1-7(10-4-5-11-7)6-8-2-3-9-6/h2-5H,1H3
InChIKeyNVUMNLVPQAQNDR-UHFFFAOYSA-N
XLogP1.37
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazole?
The IUPAC name of 2-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazole (CID 141305779) is 2-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazole?
The canonical SMILES for 2-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazole is CC1(c2ncco2)OC=CO1.
What is the InChIKey of 2-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazole?
The InChIKey is NVUMNLVPQAQNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-7(10-4-5-11-7)6-8-2-3-9-6/h2-5H,1H3.
What are the key properties of 2-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazole?
2-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazole has a molecular weight of 153.14 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazole is sourced from PubChem (CID 141305779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).