benzyl N-[3-hydroxy-3-[1-(oxan-2-yl)indazol-5-yl]propyl]carbamate

C23H27N3O4 — CID 175406283

IUPACbenzyl N-[3-hydroxy-3-[1-(oxan-2-yl)indazol-5-yl]propyl]carbamate
SMILESO=C(NCCC(O)c1ccc2c(cnn2C2CCCCO2)c1)OCc1ccccc1
InChIInChI=1S/C23H27N3O4/c27-21(11-12-24-23(28)30-16-17-6-2-1-3-7-17)18-9-10-20-19(14-18)15-25-26(20)22-8-4-5-13-29-22/h1-3,6-7,9-10,14-15,21-22,27H,4-5,8,11-13,16H2,(H,24,28)
InChIKeyWPGOSNZDKAOZHB-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.09
Rot. Bonds7

About benzyl N-[3-hydroxy-3-[1-(oxan-2-yl)indazol-5-yl]propyl]carbamate

benzyl N-[3-hydroxy-3-[1-(oxan-2-yl)indazol-5-yl]propyl]carbamate (PubChem CID 175406283) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is benzyl N-[3-hydroxy-3-[1-(oxan-2-yl)indazol-5-yl]propyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-hydroxy-3-[1-(oxan-2-yl)indazol-5-yl]propyl]carbamate
PubChem CID175406283
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Namebenzyl N-[3-hydroxy-3-[1-(oxan-2-yl)indazol-5-yl]propyl]carbamate
SMILESO=C(NCCC(O)c1ccc2c(cnn2C2CCCCO2)c1)OCc1ccccc1
InChIInChI=1S/C23H27N3O4/c27-21(11-12-24-23(28)30-16-17-6-2-1-3-7-17)18-9-10-20-19(14-18)15-25-26(20)22-8-4-5-13-29-22/h1-3,6-7,9-10,14-15,21-22,27H,4-5,8,11-13,16H2,(H,24,28)
InChIKeyWPGOSNZDKAOZHB-UHFFFAOYSA-N
XLogP4.09
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 125117230
benzyl N-[[1-(oxan-2-yl)indazole-4-carbonyl]amino]carbamate
CID 155167792
benzyl N-[4-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]but-3-ynyl]carbamate
CID 170463279
1-[(2S)-oxan-2-yl]indazole
CID 124562379
2-[4-[(E)-3-methyl-1-[1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]phenoxy]ethanamine
CID 145199877
1-(oxan-2-yl)-5-(oxetan-3-ylmethyl)indazole
CID 178036760
benzyl N-[3-[[4-[2-(oxan-2-yl)-5-[[1-(oxan-2-yl)indazol-5-yl]amino]-1,2,4-triazol-3-yl]phenoxy]methyl]oxetan-3-yl]carbamate
CID 139348398
[1-[4-chloro-6-[1-(oxan-2-yl)-5-[4-(phenylmethoxycarbonylamino)butan-2-yloxy]indazol-3-yl]pyrimidin-2-yl]-2-phenylethyl] acetate
CID 170318456
5-(1,3-dibenzylpyrrolidin-3-yl)-1-(oxan-2-yl)indazole
CID 66866271
benzyl N-[(2R)-2-fluoro-3-[3-[6-(hydroxymethyl)pyrazin-2-yl]-1-(oxan-2-yl)indazol-5-yl]oxypropyl]carbamate
CID 167524271
benzyl N-[(3S)-3-amino-4-cyclopentylbutyl]carbamate
CID 141177853
benzyl N-(3-hydroxybutyl)carbamate
CID 54160471

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-hydroxy-3-[1-(oxan-2-yl)indazol-5-yl]propyl]carbamate?
The IUPAC name of benzyl N-[3-hydroxy-3-[1-(oxan-2-yl)indazol-5-yl]propyl]carbamate (CID 175406283) is benzyl N-[3-hydroxy-3-[1-(oxan-2-yl)indazol-5-yl]propyl]carbamate.
What is the SMILES notation for benzyl N-[3-hydroxy-3-[1-(oxan-2-yl)indazol-5-yl]propyl]carbamate?
The canonical SMILES for benzyl N-[3-hydroxy-3-[1-(oxan-2-yl)indazol-5-yl]propyl]carbamate is O=C(NCCC(O)c1ccc2c(cnn2C2CCCCO2)c1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-hydroxy-3-[1-(oxan-2-yl)indazol-5-yl]propyl]carbamate?
The InChIKey is WPGOSNZDKAOZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c27-21(11-12-24-23(28)30-16-17-6-2-1-3-7-17)18-9-10-20-19(14-18)15-25-26(20)22-8-4-5-13-29-22/h1-3,6-7,9-10,14-15,21-22,27H,4-5,8,11-13,16H2,(H,24,28).
What are the key properties of benzyl N-[3-hydroxy-3-[1-(oxan-2-yl)indazol-5-yl]propyl]carbamate?
benzyl N-[3-hydroxy-3-[1-(oxan-2-yl)indazol-5-yl]propyl]carbamate has a molecular weight of 409.49 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-hydroxy-3-[1-(oxan-2-yl)indazol-5-yl]propyl]carbamate is sourced from PubChem (CID 175406283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).