8-methoxy-2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide

C19H26N4O3 — CID 167963515

IUPAC8-methoxy-2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
SMILESCOc1ccc2c(c1)OC(C)(C)CN(C(=O)Nc1cnn(C(C)C)c1)C2
InChIInChI=1S/C19H26N4O3/c1-13(2)23-11-15(9-20-23)21-18(24)22-10-14-6-7-16(25-5)8-17(14)26-19(3,4)12-22/h6-9,11,13H,10,12H2,1-5H3,(H,21,24)
InChIKeyPYCDCZGEBYINDB-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.68
Rot. Bonds3

About 8-methoxy-2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide

8-methoxy-2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide (PubChem CID 167963515) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 8-methoxy-2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide.

Molecular Properties

Compound Name8-methoxy-2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
PubChem CID167963515
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name8-methoxy-2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
SMILESCOc1ccc2c(c1)OC(C)(C)CN(C(=O)Nc1cnn(C(C)C)c1)C2
InChIInChI=1S/C19H26N4O3/c1-13(2)23-11-15(9-20-23)21-18(24)22-10-14-6-7-16(25-5)8-17(14)26-19(3,4)12-22/h6-9,11,13H,10,12H2,1-5H3,(H,21,24)
InChIKeyPYCDCZGEBYINDB-UHFFFAOYSA-N
XLogP3.68
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-methoxy-2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-3-pyridinyl)-8-methoxy-2,2-dimethyl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
CID 166383947
8-methoxy-2,2-dimethyl-N-(1,2,5-thiadiazol-3-yl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
CID 167777535
8-methoxy-2,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
CID 166238171
8-methoxy-2,2-dimethyl-N-(3-methyl-4-pyridinyl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
CID 128857558
8-methoxy-2,2-dimethyl-N-(1,2-thiazol-5-yl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
CID 166252265
N-(2,6-dimethyl-3-pyridinyl)-8-methoxy-2,2-dimethyl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
CID 167801542
8-methoxy-2,2-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
CID 166238172
N-(2-chlorophenyl)-8-methoxy-2,2-dimethyl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
CID 166238162
8-methoxy-2,2-dimethyl-N-(4-methylpyrimidin-2-yl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
CID 167841596
8-methoxy-N-(2-methoxy-3-pyridinyl)-2,2-dimethyl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
CID 166238182
N-(5-fluoro-2-methoxypyrimidin-4-yl)-8-methoxy-2,2-dimethyl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
CID 167901243
N-(5-ethyl-1-methylpyrazol-3-yl)-8-methoxy-2,2-dimethyl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
CID 166238255

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide?
The IUPAC name of 8-methoxy-2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide (CID 167963515) is 8-methoxy-2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide.
What is the SMILES notation for 8-methoxy-2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide?
The canonical SMILES for 8-methoxy-2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide is COc1ccc2c(c1)OC(C)(C)CN(C(=O)Nc1cnn(C(C)C)c1)C2.
What is the InChIKey of 8-methoxy-2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide?
The InChIKey is PYCDCZGEBYINDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13(2)23-11-15(9-20-23)21-18(24)22-10-14-6-7-16(25-5)8-17(14)26-19(3,4)12-22/h6-9,11,13H,10,12H2,1-5H3,(H,21,24).
What are the key properties of 8-methoxy-2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide?
8-methoxy-2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide is sourced from PubChem (CID 167963515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).