N-(1-methyl-3-propan-2-yloxyindazol-5-yl)oxane-4-carboxamide

C17H23N3O3 — CID 100830658

IUPACN-(1-methyl-3-propan-2-yloxyindazol-5-yl)oxane-4-carboxamide
SMILESCC(C)Oc1nn(C)c2ccc(NC(=O)C3CCOCC3)cc12
InChIInChI=1S/C17H23N3O3/c1-11(2)23-17-14-10-13(4-5-15(14)20(3)19-17)18-16(21)12-6-8-22-9-7-12/h4-5,10-12H,6-9H2,1-3H3,(H,18,21)
InChIKeyWHCQQFUAEDKJRK-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.73
Rot. Bonds4

About N-(1-methyl-3-propan-2-yloxyindazol-5-yl)oxane-4-carboxamide

N-(1-methyl-3-propan-2-yloxyindazol-5-yl)oxane-4-carboxamide (PubChem CID 100830658) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(1-methyl-3-propan-2-yloxyindazol-5-yl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-3-propan-2-yloxyindazol-5-yl)oxane-4-carboxamide
PubChem CID100830658
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(1-methyl-3-propan-2-yloxyindazol-5-yl)oxane-4-carboxamide
SMILESCC(C)Oc1nn(C)c2ccc(NC(=O)C3CCOCC3)cc12
InChIInChI=1S/C17H23N3O3/c1-11(2)23-17-14-10-13(4-5-15(14)20(3)19-17)18-16(21)12-6-8-22-9-7-12/h4-5,10-12H,6-9H2,1-3H3,(H,18,21)
InChIKeyWHCQQFUAEDKJRK-UHFFFAOYSA-N
XLogP2.73
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3-propan-2-yloxyindazol-5-yl)oxane-4-carboxamide?
The IUPAC name of N-(1-methyl-3-propan-2-yloxyindazol-5-yl)oxane-4-carboxamide (CID 100830658) is N-(1-methyl-3-propan-2-yloxyindazol-5-yl)oxane-4-carboxamide.
What is the SMILES notation for N-(1-methyl-3-propan-2-yloxyindazol-5-yl)oxane-4-carboxamide?
The canonical SMILES for N-(1-methyl-3-propan-2-yloxyindazol-5-yl)oxane-4-carboxamide is CC(C)Oc1nn(C)c2ccc(NC(=O)C3CCOCC3)cc12.
What is the InChIKey of N-(1-methyl-3-propan-2-yloxyindazol-5-yl)oxane-4-carboxamide?
The InChIKey is WHCQQFUAEDKJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11(2)23-17-14-10-13(4-5-15(14)20(3)19-17)18-16(21)12-6-8-22-9-7-12/h4-5,10-12H,6-9H2,1-3H3,(H,18,21).
What are the key properties of N-(1-methyl-3-propan-2-yloxyindazol-5-yl)oxane-4-carboxamide?
N-(1-methyl-3-propan-2-yloxyindazol-5-yl)oxane-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-3-propan-2-yloxyindazol-5-yl)oxane-4-carboxamide is sourced from PubChem (CID 100830658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).