3-methyl-2-oxa-5-azabicyclo[2.1.0]penta-1(5),3-diene

C4H3NO — CID 67980972

IUPAC3-methyl-2-oxa-5-azabicyclo[2.1.0]penta-1(5),3-diene
SMILESCc1oc2nc1-2
InChIInChI=1S/C4H3NO/c1-2-3-4(5-3)6-2/h1H3
InChIKeyDNPNKNCSUARIFS-UHFFFAOYSA-N
MW81.07 g/mol
LogP0.96
Rot. Bonds

About 3-methyl-2-oxa-5-azabicyclo[2.1.0]penta-1(5),3-diene

3-methyl-2-oxa-5-azabicyclo[2.1.0]penta-1(5),3-diene (PubChem CID 67980972) has the molecular formula C4H3NO and a molecular weight of 81.07 g/mol. Its IUPAC name is 3-methyl-2-oxa-5-azabicyclo[2.1.0]penta-1(5),3-diene.

Molecular Properties

Compound Name3-methyl-2-oxa-5-azabicyclo[2.1.0]penta-1(5),3-diene
PubChem CID67980972
Molecular FormulaC4H3NO
Molecular Weight81.07 g/mol
Exact Mass81.02
IUPAC Name3-methyl-2-oxa-5-azabicyclo[2.1.0]penta-1(5),3-diene
SMILESCc1oc2nc1-2
InChIInChI=1S/C4H3NO/c1-2-3-4(5-3)6-2/h1H3
InChIKeyDNPNKNCSUARIFS-UHFFFAOYSA-N
XLogP0.96
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.07
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(2,5-dimethyl-1,3-oxazol-4-yl)-5-methyl-1,3-oxazole-4-carboxylate
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5-methyl-4-naphthalen-1-yl-2-phenyl-1,3-oxazole
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4-(4-bromophenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
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5-methyl-2-(4-nitrophenyl)-4-phenyl-1,3-oxazole
CID 57465372
2-fluoro-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)aniline
CID 115049958
4-(1-benzylpyridin-1-ium-4-yl)-5-methyl-2-phenyl-1,3-oxazole
CID 11596633
3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2,5-diphenylcyclohex-2-en-1-one
CID 102368110
ethane;4-(4-fluorophenyl)-5-methyl-2-(4-methyl-3-pyridinyl)-1,3-oxazole
CID 142226019
[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanamine
CID 46344053
5-methyl-2-methylsulfanyl-4-phenyl-1,3-oxazole
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5-methyl-4-methylsulfanyl-2-phenyl-1,3-oxazole
CID 11694132

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxa-5-azabicyclo[2.1.0]penta-1(5),3-diene?
The IUPAC name of 3-methyl-2-oxa-5-azabicyclo[2.1.0]penta-1(5),3-diene (CID 67980972) is 3-methyl-2-oxa-5-azabicyclo[2.1.0]penta-1(5),3-diene.
What is the SMILES notation for 3-methyl-2-oxa-5-azabicyclo[2.1.0]penta-1(5),3-diene?
The canonical SMILES for 3-methyl-2-oxa-5-azabicyclo[2.1.0]penta-1(5),3-diene is Cc1oc2nc1-2.
What is the InChIKey of 3-methyl-2-oxa-5-azabicyclo[2.1.0]penta-1(5),3-diene?
The InChIKey is DNPNKNCSUARIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO/c1-2-3-4(5-3)6-2/h1H3.
What are the key properties of 3-methyl-2-oxa-5-azabicyclo[2.1.0]penta-1(5),3-diene?
3-methyl-2-oxa-5-azabicyclo[2.1.0]penta-1(5),3-diene has a molecular weight of 81.07 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxa-5-azabicyclo[2.1.0]penta-1(5),3-diene is sourced from PubChem (CID 67980972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).