2-hydroxy-3-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxamide

C16H16N2O3 — CID 122439503

IUPAC2-hydroxy-3-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxamide
SMILESNC(=O)c1ccc2c(c1)OC(O)C(c1ccccc1)NC2
InChIInChI=1S/C16H16N2O3/c17-15(19)11-6-7-12-9-18-14(10-4-2-1-3-5-10)16(20)21-13(12)8-11/h1-8,14,16,18,20H,9H2,(H2,17,19)
InChIKeyYDCDEVADIXAYDA-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.33
Rot. Bonds2

About 2-hydroxy-3-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxamide

2-hydroxy-3-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxamide (PubChem CID 122439503) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-hydroxy-3-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxamide.

Molecular Properties

Compound Name2-hydroxy-3-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxamide
PubChem CID122439503
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-hydroxy-3-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxamide
SMILESNC(=O)c1ccc2c(c1)OC(O)C(c1ccccc1)NC2
InChIInChI=1S/C16H16N2O3/c17-15(19)11-6-7-12-9-18-14(10-4-2-1-3-5-10)16(20)21-13(12)8-11/h1-8,14,16,18,20H,9H2,(H2,17,19)
InChIKeyYDCDEVADIXAYDA-UHFFFAOYSA-N
XLogP1.33
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxamide?
The IUPAC name of 2-hydroxy-3-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxamide (CID 122439503) is 2-hydroxy-3-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxamide.
What is the SMILES notation for 2-hydroxy-3-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxamide?
The canonical SMILES for 2-hydroxy-3-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxamide is NC(=O)c1ccc2c(c1)OC(O)C(c1ccccc1)NC2.
What is the InChIKey of 2-hydroxy-3-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxamide?
The InChIKey is YDCDEVADIXAYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c17-15(19)11-6-7-12-9-18-14(10-4-2-1-3-5-10)16(20)21-13(12)8-11/h1-8,14,16,18,20H,9H2,(H2,17,19).
What are the key properties of 2-hydroxy-3-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxamide?
2-hydroxy-3-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxamide is sourced from PubChem (CID 122439503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).