2,3-dihydro-1,3-benzoxazole;1,3-oxazolidine

C10H14N2O2 — CID 146450915

IUPAC2,3-dihydro-1,3-benzoxazole;1,3-oxazolidine
SMILESC1COCN1.c1ccc2c(c1)NCO2
InChIInChI=1S/C7H7NO.C3H7NO/c1-2-4-7-6(3-1)8-5-9-7;1-2-5-3-4-1/h1-4,8H,5H2;4H,1-3H2
InChIKeyWSUAKJJUEISCKF-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.01
Rot. Bonds

About 2,3-dihydro-1,3-benzoxazole;1,3-oxazolidine

2,3-dihydro-1,3-benzoxazole;1,3-oxazolidine (PubChem CID 146450915) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2,3-dihydro-1,3-benzoxazole;1,3-oxazolidine.

Molecular Properties

Compound Name2,3-dihydro-1,3-benzoxazole;1,3-oxazolidine
PubChem CID146450915
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2,3-dihydro-1,3-benzoxazole;1,3-oxazolidine
SMILESC1COCN1.c1ccc2c(c1)NCO2
InChIInChI=1S/C7H7NO.C3H7NO/c1-2-4-7-6(3-1)8-5-9-7;1-2-5-3-4-1/h1-4,8H,5H2;4H,1-3H2
InChIKeyWSUAKJJUEISCKF-UHFFFAOYSA-N
XLogP1.01
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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5,8,21,24,27-pentaoxa-2,11,18,30-tetrazatricyclo[29.4.0.012,17]pentatriaconta-1(35),12,14,16,31,33-hexaene
CID 11283208
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CID 15468632
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10,15-dioxa-3,22,28-triazatetracyclo[22.3.1.04,9.016,21]octacosa-1(28),4,6,8,16,18,20,24,26-nonaene
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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,3-benzoxazole;1,3-oxazolidine?
The IUPAC name of 2,3-dihydro-1,3-benzoxazole;1,3-oxazolidine (CID 146450915) is 2,3-dihydro-1,3-benzoxazole;1,3-oxazolidine.
What is the SMILES notation for 2,3-dihydro-1,3-benzoxazole;1,3-oxazolidine?
The canonical SMILES for 2,3-dihydro-1,3-benzoxazole;1,3-oxazolidine is C1COCN1.c1ccc2c(c1)NCO2.
What is the InChIKey of 2,3-dihydro-1,3-benzoxazole;1,3-oxazolidine?
The InChIKey is WSUAKJJUEISCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO.C3H7NO/c1-2-4-7-6(3-1)8-5-9-7;1-2-5-3-4-1/h1-4,8H,5H2;4H,1-3H2.
What are the key properties of 2,3-dihydro-1,3-benzoxazole;1,3-oxazolidine?
2,3-dihydro-1,3-benzoxazole;1,3-oxazolidine has a molecular weight of 194.23 g/mol, XLogP of 1.01, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,3-benzoxazole;1,3-oxazolidine is sourced from PubChem (CID 146450915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).