3-[1-(oxan-2-yl)indazol-6-yl]prop-2-enamide

C15H17N3O2 — CID 175874414

IUPAC3-[1-(oxan-2-yl)indazol-6-yl]prop-2-enamide
SMILESNC(=O)C=Cc1ccc2cnn(C3CCCCO3)c2c1
InChIInChI=1S/C15H17N3O2/c16-14(19)7-5-11-4-6-12-10-17-18(13(12)9-11)15-3-1-2-8-20-15/h4-7,9-10,15H,1-3,8H2,(H2,16,19)
InChIKeyAOAGGWJOOCDRRK-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.23
Rot. Bonds3

About 3-[1-(oxan-2-yl)indazol-6-yl]prop-2-enamide

3-[1-(oxan-2-yl)indazol-6-yl]prop-2-enamide (PubChem CID 175874414) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[1-(oxan-2-yl)indazol-6-yl]prop-2-enamide.

Molecular Properties

Compound Name3-[1-(oxan-2-yl)indazol-6-yl]prop-2-enamide
PubChem CID175874414
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-[1-(oxan-2-yl)indazol-6-yl]prop-2-enamide
SMILESNC(=O)C=Cc1ccc2cnn(C3CCCCO3)c2c1
InChIInChI=1S/C15H17N3O2/c16-14(19)7-5-11-4-6-12-10-17-18(13(12)9-11)15-3-1-2-8-20-15/h4-7,9-10,15H,1-3,8H2,(H2,16,19)
InChIKeyAOAGGWJOOCDRRK-UHFFFAOYSA-N
XLogP2.23
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[1-(oxetan-2-yl)indazol-6-yl]prop-2-enamide
CID 175874404
N-(7-methyl-2,3-dihydro-1H-inden-1-yl)-3-[1-(oxan-2-yl)indazol-6-yl]prop-2-enamide
CID 168865126
bromomethyl 1-(oxan-2-yl)indazole-6-carboxylate
CID 168860829
[1-(oxan-2-yl)indazol-6-yl]methanamine
CID 18616200
[(2S)-2-(6-formylindazol-1-yl)oxan-2-yl] 1-[(2R)-oxan-2-yl]indazole-6-carboxylate
CID 97302341
1-[(2S)-oxan-2-yl]indazole
CID 124562379
5-chloro-1-(oxan-2-yl)indazole
CID 138754771
3-[4-[(Z)-2-(4-bromophenyl)-1-[1-(oxan-2-yl)indazol-5-yl]but-1-enyl]phenyl]prop-2-enoic acid
CID 66802103
6-[(3S)-3-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole
CID 162502612
2-methyl-3-[4-[(Z)-1-[1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
CID 66793214
1-[7-chloro-3-[1-(oxan-2-yl)indazol-6-yl]benzotriazol-5-yl]ethanone
CID 162477218
5-methyl-1-(oxan-2-yl)indazol-6-ol
CID 137284218

Frequently Asked Questions

What is the IUPAC name of 3-[1-(oxan-2-yl)indazol-6-yl]prop-2-enamide?
The IUPAC name of 3-[1-(oxan-2-yl)indazol-6-yl]prop-2-enamide (CID 175874414) is 3-[1-(oxan-2-yl)indazol-6-yl]prop-2-enamide.
What is the SMILES notation for 3-[1-(oxan-2-yl)indazol-6-yl]prop-2-enamide?
The canonical SMILES for 3-[1-(oxan-2-yl)indazol-6-yl]prop-2-enamide is NC(=O)C=Cc1ccc2cnn(C3CCCCO3)c2c1.
What is the InChIKey of 3-[1-(oxan-2-yl)indazol-6-yl]prop-2-enamide?
The InChIKey is AOAGGWJOOCDRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-14(19)7-5-11-4-6-12-10-17-18(13(12)9-11)15-3-1-2-8-20-15/h4-7,9-10,15H,1-3,8H2,(H2,16,19).
What are the key properties of 3-[1-(oxan-2-yl)indazol-6-yl]prop-2-enamide?
3-[1-(oxan-2-yl)indazol-6-yl]prop-2-enamide has a molecular weight of 271.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(oxan-2-yl)indazol-6-yl]prop-2-enamide is sourced from PubChem (CID 175874414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).