N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide

C18H26N4O2 — CID 121346553

IUPACN-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide
SMILESCc1cccc2c(C(C)(C)NC(=O)C3CNCCOC3)nn(C)c12
InChIInChI=1S/C18H26N4O2/c1-12-6-5-7-14-15(12)22(4)21-16(14)18(2,3)20-17(23)13-10-19-8-9-24-11-13/h5-7,13,19H,8-11H2,1-4H3,(H,20,23)
InChIKeyLXXOHJMOFFAQHH-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.47
Rot. Bonds3

About N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide

N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide (PubChem CID 121346553) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide.

Molecular Properties

Compound NameN-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide
PubChem CID121346553
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide
SMILESCc1cccc2c(C(C)(C)NC(=O)C3CNCCOC3)nn(C)c12
InChIInChI=1S/C18H26N4O2/c1-12-6-5-7-14-15(12)22(4)21-16(14)18(2,3)20-17(23)13-10-19-8-9-24-11-13/h5-7,13,19H,8-11H2,1-4H3,(H,20,23)
InChIKeyLXXOHJMOFFAQHH-UHFFFAOYSA-N
XLogP1.47
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide?
The IUPAC name of N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide (CID 121346553) is N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide.
What is the SMILES notation for N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide?
The canonical SMILES for N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide is Cc1cccc2c(C(C)(C)NC(=O)C3CNCCOC3)nn(C)c12.
What is the InChIKey of N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide?
The InChIKey is LXXOHJMOFFAQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-12-6-5-7-14-15(12)22(4)21-16(14)18(2,3)20-17(23)13-10-19-8-9-24-11-13/h5-7,13,19H,8-11H2,1-4H3,(H,20,23).
What are the key properties of N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide?
N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide is sourced from PubChem (CID 121346553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).