2-[(Z)-6-cyclohexyl-1-oxo-1-(phenylmethoxyamino)hex-3-en-3-yl]-5-methyl-1,3-oxazole-4-carboxylic acid

C24H30N2O5 — CID 149334781

IUPAC2-[(Z)-6-cyclohexyl-1-oxo-1-(phenylmethoxyamino)hex-3-en-3-yl]-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1oc(/C(=C\CCC2CCCCC2)CC(=O)NOCc2ccccc2)nc1C(=O)O
InChIInChI=1S/C24H30N2O5/c1-17-22(24(28)29)25-23(31-17)20(14-8-13-18-9-4-2-5-10-18)15-21(27)26-30-16-19-11-6-3-7-12-19/h3,6-7,11-12,14,18H,2,4-5,8-10,13,15-16H2,1H3,(H,26,27)(H,28,29)/b20-14-
InChIKeyYDAGGWMEQHNGDW-ZHZULCJRSA-N
MW426.51 g/mol
LogP5.06
Rot. Bonds10

About 2-[(Z)-6-cyclohexyl-1-oxo-1-(phenylmethoxyamino)hex-3-en-3-yl]-5-methyl-1,3-oxazole-4-carboxylic acid

2-[(Z)-6-cyclohexyl-1-oxo-1-(phenylmethoxyamino)hex-3-en-3-yl]-5-methyl-1,3-oxazole-4-carboxylic acid (PubChem CID 149334781) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is 2-[(Z)-6-cyclohexyl-1-oxo-1-(phenylmethoxyamino)hex-3-en-3-yl]-5-methyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(Z)-6-cyclohexyl-1-oxo-1-(phenylmethoxyamino)hex-3-en-3-yl]-5-methyl-1,3-oxazole-4-carboxylic acid
PubChem CID149334781
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name2-[(Z)-6-cyclohexyl-1-oxo-1-(phenylmethoxyamino)hex-3-en-3-yl]-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1oc(/C(=C\CCC2CCCCC2)CC(=O)NOCc2ccccc2)nc1C(=O)O
InChIInChI=1S/C24H30N2O5/c1-17-22(24(28)29)25-23(31-17)20(14-8-13-18-9-4-2-5-10-18)15-21(27)26-30-16-19-11-6-3-7-12-19/h3,6-7,11-12,14,18H,2,4-5,8-10,13,15-16H2,1H3,(H,26,27)(H,28,29)/b20-14-
InChIKeyYDAGGWMEQHNGDW-ZHZULCJRSA-N
XLogP5.06
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.51
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(Z)-6-cyclohexyl-1-oxo-1-(phenylmethoxyamino)hex-3-en-3-yl]-5-methyl-1,3-oxazole-4-carboxylic acid with MolForge

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Related Compounds

5-methyl-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1,3-oxazole-4-carboxylic acid
CID 85274193
(3R)-6-cyclohexyl-3-[4-[(cyclohexylamino)methyl]-5-methyl-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide
CID 58860999
2-cyclobutyl-N-phenylmethoxyacetamide
CID 103706482
6-cyclohexyl-3-[5-methyl-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide
CID 22733316
(3R)-6-cyclohexyl-3-(4-formyl-1,3-oxazol-2-yl)-N-phenylmethoxyhexanamide;ethyl 2-[(3R)-6-cyclohexyl-1-oxo-1-(phenylmethoxyamino)hexan-3-yl]-1,3-oxazole-4-carboxylate
CID 160750677
tert-butyl 2-(phenylmethoxycarbamoyl)piperidine-1-carboxylate
CID 60596105
ethyl 1-(phenylmethoxyamino)piperidine-2-carboxylate
CID 171060032
tert-butyl (2S)-2-(phenylmethoxycarbamoyl)pyrrolidine-1-carboxylate
CID 23258205
benzyl 4,5-dimethyl-1,3-oxazole-2-carboxylate
CID 134511513
2-(4-hydroxypiperidin-1-yl)-N-phenylmethoxyacetamide
CID 110881841
tert-butyl (2R)-2-(phenylmethoxycarbamoyl)azetidine-1-carboxylate
CID 87540100
2-amino-2-cyclopropyl-N-phenylmethoxypropanamide
CID 64974796

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-6-cyclohexyl-1-oxo-1-(phenylmethoxyamino)hex-3-en-3-yl]-5-methyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[(Z)-6-cyclohexyl-1-oxo-1-(phenylmethoxyamino)hex-3-en-3-yl]-5-methyl-1,3-oxazole-4-carboxylic acid (CID 149334781) is 2-[(Z)-6-cyclohexyl-1-oxo-1-(phenylmethoxyamino)hex-3-en-3-yl]-5-methyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[(Z)-6-cyclohexyl-1-oxo-1-(phenylmethoxyamino)hex-3-en-3-yl]-5-methyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[(Z)-6-cyclohexyl-1-oxo-1-(phenylmethoxyamino)hex-3-en-3-yl]-5-methyl-1,3-oxazole-4-carboxylic acid is Cc1oc(/C(=C\CCC2CCCCC2)CC(=O)NOCc2ccccc2)nc1C(=O)O.
What is the InChIKey of 2-[(Z)-6-cyclohexyl-1-oxo-1-(phenylmethoxyamino)hex-3-en-3-yl]-5-methyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is YDAGGWMEQHNGDW-ZHZULCJRSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-17-22(24(28)29)25-23(31-17)20(14-8-13-18-9-4-2-5-10-18)15-21(27)26-30-16-19-11-6-3-7-12-19/h3,6-7,11-12,14,18H,2,4-5,8-10,13,15-16H2,1H3,(H,26,27)(H,28,29)/b20-14-.
What are the key properties of 2-[(Z)-6-cyclohexyl-1-oxo-1-(phenylmethoxyamino)hex-3-en-3-yl]-5-methyl-1,3-oxazole-4-carboxylic acid?
2-[(Z)-6-cyclohexyl-1-oxo-1-(phenylmethoxyamino)hex-3-en-3-yl]-5-methyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 426.51 g/mol, XLogP of 5.06, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-6-cyclohexyl-1-oxo-1-(phenylmethoxyamino)hex-3-en-3-yl]-5-methyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 149334781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).