4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine

C13H14N2O2 — CID 75511652

IUPAC4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine
SMILESCc1cc(CN2CCOc3ccccc32)no1
InChIInChI=1S/C13H14N2O2/c1-10-8-11(14-17-10)9-15-6-7-16-13-5-3-2-4-12(13)15/h2-5,8H,6-7,9H2,1H3
InChIKeyHPRARMQSBHEKKY-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.38
Rot. Bonds2

About 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine

4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine (PubChem CID 75511652) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine
PubChem CID75511652
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine
SMILESCc1cc(CN2CCOc3ccccc32)no1
InChIInChI=1S/C13H14N2O2/c1-10-8-11(14-17-10)9-15-6-7-16-13-5-3-2-4-12(13)15/h2-5,8H,6-7,9H2,1H3
InChIKeyHPRARMQSBHEKKY-UHFFFAOYSA-N
XLogP2.38
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine (CID 75511652) is 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine is Cc1cc(CN2CCOc3ccccc32)no1.
What is the InChIKey of 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine?
The InChIKey is HPRARMQSBHEKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-10-8-11(14-17-10)9-15-6-7-16-13-5-3-2-4-12(13)15/h2-5,8H,6-7,9H2,1H3.
What are the key properties of 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine?
4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine has a molecular weight of 230.27 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 75511652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).