benzyl N-[[1-(oxan-2-yl)indazole-4-carbonyl]amino]carbamate

C21H22N4O4 — CID 155167792

IUPACbenzyl N-[[1-(oxan-2-yl)indazole-4-carbonyl]amino]carbamate
SMILESO=C(NNC(=O)c1cccc2c1cnn2C1CCCCO1)OCc1ccccc1
InChIInChI=1S/C21H22N4O4/c26-20(23-24-21(27)29-14-15-7-2-1-3-8-15)16-9-6-10-18-17(16)13-22-25(18)19-11-4-5-12-28-19/h1-3,6-10,13,19H,4-5,11-12,14H2,(H,23,26)(H,24,27)
InChIKeyOUHCQTZWWUHYDY-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.31
Rot. Bonds4

About benzyl N-[[1-(oxan-2-yl)indazole-4-carbonyl]amino]carbamate

benzyl N-[[1-(oxan-2-yl)indazole-4-carbonyl]amino]carbamate (PubChem CID 155167792) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is benzyl N-[[1-(oxan-2-yl)indazole-4-carbonyl]amino]carbamate.

Molecular Properties

Compound Namebenzyl N-[[1-(oxan-2-yl)indazole-4-carbonyl]amino]carbamate
PubChem CID155167792
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Namebenzyl N-[[1-(oxan-2-yl)indazole-4-carbonyl]amino]carbamate
SMILESO=C(NNC(=O)c1cccc2c1cnn2C1CCCCO1)OCc1ccccc1
InChIInChI=1S/C21H22N4O4/c26-20(23-24-21(27)29-14-15-7-2-1-3-8-15)16-9-6-10-18-17(16)13-22-25(18)19-11-4-5-12-28-19/h1-3,6-10,13,19H,4-5,11-12,14H2,(H,23,26)(H,24,27)
InChIKeyOUHCQTZWWUHYDY-UHFFFAOYSA-N
XLogP3.31
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl 4-[2-chloro-6-[[1-(oxan-2-yl)indazol-4-yl]carbamoyl]pyrimidin-4-yl]piperazine-1-carboxylate
CID 156812110
[1-(oxan-2-yl)indazol-4-yl]boronic acid
CID 118993474
[1-[(2S)-oxan-2-yl]indazol-4-yl]boronic acid
CID 125117039
benzyl N-[3-hydroxy-3-[1-(oxan-2-yl)indazol-5-yl]propyl]carbamate
CID 175406283
1-[(2S)-oxan-2-yl]-4-phenylmethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 99865061
benzyl N-[4-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]but-3-ynyl]carbamate
CID 170463279
4-ethynyl-1-(oxan-2-yl)indazole
CID 155167654
N-[[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-(oxan-2-yl)indazole-4-carboxamide
CID 155167819
1-[(2S)-oxan-2-yl]indazole
CID 124562379
benzyl N-benzamidocarbamate
CID 4935848
5-benzyl-1-(oxan-2-yl)indazole
CID 156734105
1-(oxan-2-yl)-6-[2-(oxan-2-yl)pyrazol-3-yl]indazole-4-carboxylic acid
CID 155167536

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[1-(oxan-2-yl)indazole-4-carbonyl]amino]carbamate?
The IUPAC name of benzyl N-[[1-(oxan-2-yl)indazole-4-carbonyl]amino]carbamate (CID 155167792) is benzyl N-[[1-(oxan-2-yl)indazole-4-carbonyl]amino]carbamate.
What is the SMILES notation for benzyl N-[[1-(oxan-2-yl)indazole-4-carbonyl]amino]carbamate?
The canonical SMILES for benzyl N-[[1-(oxan-2-yl)indazole-4-carbonyl]amino]carbamate is O=C(NNC(=O)c1cccc2c1cnn2C1CCCCO1)OCc1ccccc1.
What is the InChIKey of benzyl N-[[1-(oxan-2-yl)indazole-4-carbonyl]amino]carbamate?
The InChIKey is OUHCQTZWWUHYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c26-20(23-24-21(27)29-14-15-7-2-1-3-8-15)16-9-6-10-18-17(16)13-22-25(18)19-11-4-5-12-28-19/h1-3,6-10,13,19H,4-5,11-12,14H2,(H,23,26)(H,24,27).
What are the key properties of benzyl N-[[1-(oxan-2-yl)indazole-4-carbonyl]amino]carbamate?
benzyl N-[[1-(oxan-2-yl)indazole-4-carbonyl]amino]carbamate has a molecular weight of 394.43 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[1-(oxan-2-yl)indazole-4-carbonyl]amino]carbamate is sourced from PubChem (CID 155167792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).