4-[[5-(1-methylindazol-3-yl)furan-2-yl]methyl]morpholine

C17H19N3O2 — CID 57393623

IUPAC4-[[5-(1-methylindazol-3-yl)furan-2-yl]methyl]morpholine
SMILESCn1nc(-c2ccc(CN3CCOCC3)o2)c2ccccc21
InChIInChI=1S/C17H19N3O2/c1-19-15-5-3-2-4-14(15)17(18-19)16-7-6-13(22-16)12-20-8-10-21-11-9-20/h2-7H,8-12H2,1H3
InChIKeySZKHXBCVBQIEEK-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.67
Rot. Bonds3

About 4-[[5-(1-methylindazol-3-yl)furan-2-yl]methyl]morpholine

4-[[5-(1-methylindazol-3-yl)furan-2-yl]methyl]morpholine (PubChem CID 57393623) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-[[5-(1-methylindazol-3-yl)furan-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-(1-methylindazol-3-yl)furan-2-yl]methyl]morpholine
PubChem CID57393623
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name4-[[5-(1-methylindazol-3-yl)furan-2-yl]methyl]morpholine
SMILESCn1nc(-c2ccc(CN3CCOCC3)o2)c2ccccc21
InChIInChI=1S/C17H19N3O2/c1-19-15-5-3-2-4-14(15)17(18-19)16-7-6-13(22-16)12-20-8-10-21-11-9-20/h2-7H,8-12H2,1H3
InChIKeySZKHXBCVBQIEEK-UHFFFAOYSA-N
XLogP2.67
TPSA43.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5'-Hydroxymethyl-2'-furyl)-1-benzylindazole
CID 5712
[5-[1-[(2-Fluorophenyl)methyl]indazol-3-yl]furan-2-yl]methanol
CID 9949053
1-Benzyl-3-(5-methoxycarbonyl-2-furyl)indazole
CID 9967388
2-Furanmethanol, 5-[1-[(4-fluorophenyl)methyl]-1H-indazol-3-yl]-
CID 11472726
[5-[1-(Pyridin-3-ylmethyl)indazol-3-yl]furan-2-yl]methanol
CID 15840332
[5-[1-(Pyridin-2-ylmethyl)indazol-3-yl]furan-2-yl]methanol
CID 15840335
5-[1-[(3-Fluorophenyl)methyl]-1H-indazol-3-yl]-2-furanmethanol
CID 21263021
[5-[1-[(2,6-Difluorophenyl)methyl]indazol-3-yl]furan-2-yl]methanol
CID 21334501
methyl 1-((4-methoxyphenyl)methyl)-1H-indazole-3-carboxylate
CID 17859014
N-benzyl-N-{[3-(5-methyl-2-furyl)-1-phenyl-1H-pyrazol-4-yl]methyl}-2-furamide
CID 1288057
2-[5-(2-furyl)-3-methyl-1H-pyrazol-1-yl]-N-(3-phenylpropyl)acetamide
CID 5308195
N-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 6620408

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1-methylindazol-3-yl)furan-2-yl]methyl]morpholine?
The IUPAC name of 4-[[5-(1-methylindazol-3-yl)furan-2-yl]methyl]morpholine (CID 57393623) is 4-[[5-(1-methylindazol-3-yl)furan-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-(1-methylindazol-3-yl)furan-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-(1-methylindazol-3-yl)furan-2-yl]methyl]morpholine is Cn1nc(-c2ccc(CN3CCOCC3)o2)c2ccccc21.
What is the InChIKey of 4-[[5-(1-methylindazol-3-yl)furan-2-yl]methyl]morpholine?
The InChIKey is SZKHXBCVBQIEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-19-15-5-3-2-4-14(15)17(18-19)16-7-6-13(22-16)12-20-8-10-21-11-9-20/h2-7H,8-12H2,1H3.
What are the key properties of 4-[[5-(1-methylindazol-3-yl)furan-2-yl]methyl]morpholine?
4-[[5-(1-methylindazol-3-yl)furan-2-yl]methyl]morpholine has a molecular weight of 297.36 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1-methylindazol-3-yl)furan-2-yl]methyl]morpholine is sourced from PubChem (CID 57393623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).