N-(1H-indazol-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide

C17H16N4O2 — CID 155966968

IUPACN-(1H-indazol-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)c1cccc2c1OCCNC2
InChIInChI=1S/C17H16N4O2/c22-17(20-13-4-5-15-12(8-13)10-19-21-15)14-3-1-2-11-9-18-6-7-23-16(11)14/h1-5,8,10,18H,6-7,9H2,(H,19,21)(H,20,22)
InChIKeyNNZMPPHYLGLVKU-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.30
Rot. Bonds2

About N-(1H-indazol-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide

N-(1H-indazol-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide (PubChem CID 155966968) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
PubChem CID155966968
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-(1H-indazol-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)c1cccc2c1OCCNC2
InChIInChI=1S/C17H16N4O2/c22-17(20-13-4-5-15-12(8-13)10-19-21-15)14-3-1-2-11-9-18-6-7-23-16(11)14/h1-5,8,10,18H,6-7,9H2,(H,19,21)(H,20,22)
InChIKeyNNZMPPHYLGLVKU-UHFFFAOYSA-N
XLogP2.30
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(1H-indazol-5-yl)benzamide
CID 5078247
N-(1H-indazol-5-yl)-2-methylfuran-3-carboxamide
CID 17148684
methyl 2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxylate
CID 130120340
N-(1H-indazol-5-yl)-2-phenoxybenzamide
CID 117073693
N-naphthalen-2-yl-1H-indazole-5-carboxamide
CID 69422881
N-(1H-indazol-5-yl)-2-pyrazol-1-ylbenzamide
CID 87000919
2-fluoro-N-(1H-indazol-5-yl)-4-methylbenzamide
CID 79771081
N-(1H-indazol-5-yl)-2,4,5-trimethoxybenzamide
CID 6468296
N-(1H-indazol-5-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43704644
3-(2,2-dimethylpropanoylamino)-N-(1H-indazol-5-yl)benzamide
CID 134037635
N-(1H-indazol-5-yl)-3-nitrobenzamide
CID 17163936
5-bromo-N-(1H-indazol-5-yl)-2-methylbenzamide
CID 65311684

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?
The IUPAC name of N-(1H-indazol-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide (CID 155966968) is N-(1H-indazol-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?
The canonical SMILES for N-(1H-indazol-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide is O=C(Nc1ccc2[nH]ncc2c1)c1cccc2c1OCCNC2.
What is the InChIKey of N-(1H-indazol-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?
The InChIKey is NNZMPPHYLGLVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-17(20-13-4-5-15-12(8-13)10-19-21-15)14-3-1-2-11-9-18-6-7-23-16(11)14/h1-5,8,10,18H,6-7,9H2,(H,19,21)(H,20,22).
What are the key properties of N-(1H-indazol-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?
N-(1H-indazol-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide is sourced from PubChem (CID 155966968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).