benzene;4,5-dihydro-1,2-oxazole

C9H11NO — CID 174704929

IUPACbenzene;4,5-dihydro-1,2-oxazole
SMILESC1=NOCC1.c1ccccc1
InChIInChI=1S/C6H6.C3H5NO/c1-2-4-6-5-3-1;1-2-4-5-3-1/h1-6H;2H,1,3H2
InChIKeyINZFYDSZSBGNKP-UHFFFAOYSA-N
MW149.19 g/mol
LogP2.08
Rot. Bonds

About benzene;4,5-dihydro-1,2-oxazole

benzene;4,5-dihydro-1,2-oxazole (PubChem CID 174704929) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is benzene;4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Namebenzene;4,5-dihydro-1,2-oxazole
PubChem CID174704929
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Namebenzene;4,5-dihydro-1,2-oxazole
SMILESC1=NOCC1.c1ccccc1
InChIInChI=1S/C6H6.C3H5NO/c1-2-4-6-5-3-1;1-2-4-5-3-1/h1-6H;2H,1,3H2
InChIKeyINZFYDSZSBGNKP-UHFFFAOYSA-N
XLogP2.08
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzene;4,5-dihydro-1,2-oxazole?
The IUPAC name of benzene;4,5-dihydro-1,2-oxazole (CID 174704929) is benzene;4,5-dihydro-1,2-oxazole.
What is the SMILES notation for benzene;4,5-dihydro-1,2-oxazole?
The canonical SMILES for benzene;4,5-dihydro-1,2-oxazole is C1=NOCC1.c1ccccc1.
What is the InChIKey of benzene;4,5-dihydro-1,2-oxazole?
The InChIKey is INZFYDSZSBGNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C3H5NO/c1-2-4-6-5-3-1;1-2-4-5-3-1/h1-6H;2H,1,3H2.
What are the key properties of benzene;4,5-dihydro-1,2-oxazole?
benzene;4,5-dihydro-1,2-oxazole has a molecular weight of 149.19 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 174704929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).