2,4-dimethyl-1,2,5,6-tetrahydropyrrolo[3,2-d][1,3]oxazole

C7H12N2O — CID 163795502

IUPAC2,4-dimethyl-1,2,5,6-tetrahydropyrrolo[3,2-d][1,3]oxazole
SMILESCC1NC2=C(O1)N(C)CC2
InChIInChI=1S/C7H12N2O/c1-5-8-6-3-4-9(2)7(6)10-5/h5,8H,3-4H2,1-2H3
InChIKeyNAKKGZDPXGUQFL-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.46
Rot. Bonds

About 2,4-dimethyl-1,2,5,6-tetrahydropyrrolo[3,2-d][1,3]oxazole

2,4-dimethyl-1,2,5,6-tetrahydropyrrolo[3,2-d][1,3]oxazole (PubChem CID 163795502) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2,4-dimethyl-1,2,5,6-tetrahydropyrrolo[3,2-d][1,3]oxazole.

Molecular Properties

Compound Name2,4-dimethyl-1,2,5,6-tetrahydropyrrolo[3,2-d][1,3]oxazole
PubChem CID163795502
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2,4-dimethyl-1,2,5,6-tetrahydropyrrolo[3,2-d][1,3]oxazole
SMILESCC1NC2=C(O1)N(C)CC2
InChIInChI=1S/C7H12N2O/c1-5-8-6-3-4-9(2)7(6)10-5/h5,8H,3-4H2,1-2H3
InChIKeyNAKKGZDPXGUQFL-UHFFFAOYSA-N
XLogP0.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole
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1,6-dimethylazocane-2,5-dione
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5,8-dimethyl-3,4,6,7-tetrahydro-2H-pyrazino[2,3-b][1,4]oxazine
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CID 144550831

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,2,5,6-tetrahydropyrrolo[3,2-d][1,3]oxazole?
The IUPAC name of 2,4-dimethyl-1,2,5,6-tetrahydropyrrolo[3,2-d][1,3]oxazole (CID 163795502) is 2,4-dimethyl-1,2,5,6-tetrahydropyrrolo[3,2-d][1,3]oxazole.
What is the SMILES notation for 2,4-dimethyl-1,2,5,6-tetrahydropyrrolo[3,2-d][1,3]oxazole?
The canonical SMILES for 2,4-dimethyl-1,2,5,6-tetrahydropyrrolo[3,2-d][1,3]oxazole is CC1NC2=C(O1)N(C)CC2.
What is the InChIKey of 2,4-dimethyl-1,2,5,6-tetrahydropyrrolo[3,2-d][1,3]oxazole?
The InChIKey is NAKKGZDPXGUQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5-8-6-3-4-9(2)7(6)10-5/h5,8H,3-4H2,1-2H3.
What are the key properties of 2,4-dimethyl-1,2,5,6-tetrahydropyrrolo[3,2-d][1,3]oxazole?
2,4-dimethyl-1,2,5,6-tetrahydropyrrolo[3,2-d][1,3]oxazole has a molecular weight of 140.19 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,2,5,6-tetrahydropyrrolo[3,2-d][1,3]oxazole is sourced from PubChem (CID 163795502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).