(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

C48H64N4O9 — CID 160750677

IUPAC(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
SMILESCCOC(=O)c1coc([C@H](CCCC2CCCCC2)CC(=O)NOCc2ccccc2)n1.O=Cc1coc([C@H](CCCC2CCCCC2)CC(=O)NOCc2ccccc2)n1
InChIInChI=1S/C25H34N2O5.C23H30N2O4/c1-2-30-25(29)22-18-31-24(26-22)21(15-9-14-19-10-5-3-6-11-19)16-23(28)27-32-17-20-12-7-4-8-13-20;26-15-21-17-28-23(24-21)20(13-7-12-18-8-3-1-4-9-18)14-22(27)25-29-16-19-10-5-2-6-11-19/h4,7-8,12-13,18-19,21H,2-3,5-6,9-11,14-17H2,1H3,(H,27,28);2,5-6,10-11,15,17-18,20H,1,3-4,7-9,12-14,16H2,(H,25,27)/t21-;20-/m11/s1
InChIKeyRWTURPQBOPWWOF-NWORTSARSA-N
MW841.06 g/mol
LogP10.28
Rot. Bonds23

About (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

(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 (PubChem CID 160750677) has the molecular formula C48H64N4O9 and a molecular weight of 841.06 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID160750677
Molecular FormulaC48H64N4O9
Molecular Weight841.06 g/mol
Exact Mass840.47
IUPAC Name(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
SMILESCCOC(=O)c1coc([C@H](CCCC2CCCCC2)CC(=O)NOCc2ccccc2)n1.O=Cc1coc([C@H](CCCC2CCCCC2)CC(=O)NOCc2ccccc2)n1
InChIInChI=1S/C25H34N2O5.C23H30N2O4/c1-2-30-25(29)22-18-31-24(26-22)21(15-9-14-19-10-5-3-6-11-19)16-23(28)27-32-17-20-12-7-4-8-13-20;26-15-21-17-28-23(24-21)20(13-7-12-18-8-3-1-4-9-18)14-22(27)25-29-16-19-10-5-2-6-11-19/h4,7-8,12-13,18-19,21H,2-3,5-6,9-11,14-17H2,1H3,(H,27,28);2,5-6,10-11,15,17-18,20H,1,3-4,7-9,12-14,16H2,(H,25,27)/t21-;20-/m11/s1
InChIKeyRWTURPQBOPWWOF-NWORTSARSA-N
XLogP10.28
TPSA172.09 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds23
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500841.06
LogP ≤ 510.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-(4-acetyl-1,3-oxazol-2-yl)-6-cyclohexyl-N-ethoxyhexanamide;(3R)-3-(4-acetyl-1,3-oxazol-2-yl)-6-cyclohexylhexanoic acid
CID 158700912
(3R)-6-cyclohexyl-3-[4-[(cyclohexylamino)methyl]-5-methyl-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide
CID 58860999
6-cyclohexyl-3-[5-methyl-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide
CID 22733316
(3R)-6-cyclohexyl-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]hexanoic acid
CID 139958657
2-cyclobutyl-N-phenylmethoxyacetamide
CID 103706482
(3R)-6-cyclohexyl-3-[4-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-N-hydroxyhexanamide
CID 59917738
6-cyclohexyl-3-[3-[(2-ethoxy-2-oxoethoxy)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 22480784
ethyl 2-[(1R)-1-[[(2R)-2,5-diaminopentanoyl]amino]-3-phenylpropyl]-1,3-oxazole-4-carboxylate
CID 22961324
6-cyclohexyl-3-[4-[(propan-2-ylamino)methyl]-1,3-oxazol-2-yl]hexanamide
CID 142148173
ethyl 5-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylate
CID 10202978
6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 22480863
2-[(Z)-6-cyclohexyl-1-oxo-1-(phenylmethoxyamino)hex-3-en-3-yl]-5-methyl-1,3-oxazole-4-carboxylic acid
CID 149334781

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCOC(=O)c1coc([C@H](CCCC2CCCCC2)CC(=O)NOCc2ccccc2)n1.O=Cc1coc([C@H](CCCC2CCCCC2)CC(=O)NOCc2ccccc2)n1.
What is the InChIKey of (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?
The InChIKey is RWTURPQBOPWWOF-NWORTSARSA-N. The full InChI is InChI=1S/C25H34N2O5.C23H30N2O4/c1-2-30-25(29)22-18-31-24(26-22)21(15-9-14-19-10-5-3-6-11-19)16-23(28)27-32-17-20-12-7-4-8-13-20;26-15-21-17-28-23(24-21)20(13-7-12-18-8-3-1-4-9-18)14-22(27)25-29-16-19-10-5-2-6-11-19/h4,7-8,12-13,18-19,21H,2-3,5-6,9-11,14-17H2,1H3,(H,27,28);2,5-6,10-11,15,17-18,20H,1,3-4,7-9,12-14,16H2,(H,25,27)/t21-;20-/m11/s1.
What are the key properties of (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?
(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 has a molecular weight of 841.06 g/mol, XLogP of 10.28, 23 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 160750677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).