2,5-dichloro-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide

C14H12Cl2N2O2 — CID 16942469

IUPAC2,5-dichloro-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide
SMILESO=C(Nc1onc2c1CCCC2)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12Cl2N2O2/c15-8-5-6-11(16)10(7-8)13(19)17-14-9-3-1-2-4-12(9)18-20-14/h5-7H,1-4H2,(H,17,19)
InChIKeyPNNGOKRLKBVNQC-UHFFFAOYSA-N
MW311.17 g/mol
LogP4.11
Rot. Bonds2

About 2,5-dichloro-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide

2,5-dichloro-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide (PubChem CID 16942469) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 2,5-dichloro-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide
PubChem CID16942469
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name2,5-dichloro-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide
SMILESO=C(Nc1onc2c1CCCC2)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12Cl2N2O2/c15-8-5-6-11(16)10(7-8)13(19)17-14-9-3-1-2-4-12(9)18-20-14/h5-7H,1-4H2,(H,17,19)
InChIKeyPNNGOKRLKBVNQC-UHFFFAOYSA-N
XLogP4.11
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide?
The IUPAC name of 2,5-dichloro-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide (CID 16942469) is 2,5-dichloro-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide is O=C(Nc1onc2c1CCCC2)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide?
The InChIKey is PNNGOKRLKBVNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c15-8-5-6-11(16)10(7-8)13(19)17-14-9-3-1-2-4-12(9)18-20-14/h5-7H,1-4H2,(H,17,19).
What are the key properties of 2,5-dichloro-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide?
2,5-dichloro-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide has a molecular weight of 311.17 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide is sourced from PubChem (CID 16942469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).