2H-1,2-benzoxazine;4,5-dihydro-1,3-oxazole

C11H12N2O2 — CID 159437520

IUPAC2H-1,2-benzoxazine;4,5-dihydro-1,3-oxazole
SMILESC1=Cc2ccccc2ON1.C1=NCCO1
InChIInChI=1S/C8H7NO.C3H5NO/c1-2-4-8-7(3-1)5-6-9-10-8;1-2-5-3-4-1/h1-6,9H;3H,1-2H2
InChIKeyLRTLLPFPWLCAOK-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.60
Rot. Bonds

About 2H-1,2-benzoxazine;4,5-dihydro-1,3-oxazole

2H-1,2-benzoxazine;4,5-dihydro-1,3-oxazole (PubChem CID 159437520) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2H-1,2-benzoxazine;4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2H-1,2-benzoxazine;4,5-dihydro-1,3-oxazole
PubChem CID159437520
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2H-1,2-benzoxazine;4,5-dihydro-1,3-oxazole
SMILESC1=Cc2ccccc2ON1.C1=NCCO1
InChIInChI=1S/C8H7NO.C3H5NO/c1-2-4-8-7(3-1)5-6-9-10-8;1-2-5-3-4-1/h1-6,9H;3H,1-2H2
InChIKeyLRTLLPFPWLCAOK-UHFFFAOYSA-N
XLogP1.60
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 22349486
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CID 67470092
2H-1,2-benzoxazine;1H-pyrazole
CID 89454286
2H-1,2-benzoxazine;cyclohexanamine
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2H-1,2-benzoxazine;prop-2-en-1-amine
CID 175090238
1,1'-biphenyl;4,5-dihydro-1,3-oxazole
CID 18473876
2H-1,2-benzoxazine;prop-1-ene-2-sulfonamide
CID 118163764
4,5-dihydro-1,3-oxazole;hydrate
CID 141348251
4,5-dihydro-1,3-oxazole;manganese
CID 160543955
copper;tris(4,5-dihydro-1,3-oxazole)
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CID 90953870

Frequently Asked Questions

What is the IUPAC name of 2H-1,2-benzoxazine;4,5-dihydro-1,3-oxazole?
The IUPAC name of 2H-1,2-benzoxazine;4,5-dihydro-1,3-oxazole (CID 159437520) is 2H-1,2-benzoxazine;4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2H-1,2-benzoxazine;4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2H-1,2-benzoxazine;4,5-dihydro-1,3-oxazole is C1=Cc2ccccc2ON1.C1=NCCO1.
What is the InChIKey of 2H-1,2-benzoxazine;4,5-dihydro-1,3-oxazole?
The InChIKey is LRTLLPFPWLCAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO.C3H5NO/c1-2-4-8-7(3-1)5-6-9-10-8;1-2-5-3-4-1/h1-6,9H;3H,1-2H2.
What are the key properties of 2H-1,2-benzoxazine;4,5-dihydro-1,3-oxazole?
2H-1,2-benzoxazine;4,5-dihydro-1,3-oxazole has a molecular weight of 204.23 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,2-benzoxazine;4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 159437520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).