6-cyclohexyl-3-[5-methyl-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide

C28H41N3O4 — CID 22733316

IUPAC6-cyclohexyl-3-[5-methyl-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide
SMILESCc1oc(C(CCCC2CCCCC2)CC(=O)NOCc2ccccc2)nc1CN1CCOCC1
InChIInChI=1S/C28H41N3O4/c1-22-26(20-31-15-17-33-18-16-31)29-28(35-22)25(14-8-13-23-9-4-2-5-10-23)19-27(32)30-34-21-24-11-6-3-7-12-24/h3,6-7,11-12,23,25H,2,4-5,8-10,13-21H2,1H3,(H,30,32)
InChIKeyPJJNGSUXXDLNEA-UHFFFAOYSA-N
MW483.65 g/mol
LogP5.29
Rot. Bonds12

About 6-cyclohexyl-3-[5-methyl-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide

6-cyclohexyl-3-[5-methyl-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide (PubChem CID 22733316) has the molecular formula C28H41N3O4 and a molecular weight of 483.65 g/mol. Its IUPAC name is 6-cyclohexyl-3-[5-methyl-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide.

Molecular Properties

Compound Name6-cyclohexyl-3-[5-methyl-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide
PubChem CID22733316
Molecular FormulaC28H41N3O4
Molecular Weight483.65 g/mol
Exact Mass483.31
IUPAC Name6-cyclohexyl-3-[5-methyl-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide
SMILESCc1oc(C(CCCC2CCCCC2)CC(=O)NOCc2ccccc2)nc1CN1CCOCC1
InChIInChI=1S/C28H41N3O4/c1-22-26(20-31-15-17-33-18-16-31)29-28(35-22)25(14-8-13-23-9-4-2-5-10-23)19-27(32)30-34-21-24-11-6-3-7-12-24/h3,6-7,11-12,23,25H,2,4-5,8-10,13-21H2,1H3,(H,30,32)
InChIKeyPJJNGSUXXDLNEA-UHFFFAOYSA-N
XLogP5.29
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.65
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R)-6-cyclohexyl-3-[4-[(cyclohexylamino)methyl]-5-methyl-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide
CID 58860999
(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
(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
2-[(Z)-6-cyclohexyl-1-oxo-1-(phenylmethoxyamino)hex-3-en-3-yl]-5-methyl-1,3-oxazole-4-carboxylic acid
CID 149334781
2-cyclobutyl-N-phenylmethoxyacetamide
CID 103706482
(3R)-3-[3-(benzylcarbamoyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoic acid;tert-butyl (3R)-3-[3-(benzylcarbamoyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoate
CID 159682966
(3R)-6-cyclohexyl-3-[4-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-N-hydroxyhexanamide
CID 59917738
(3R)-3-hydroxy-N-phenylmethoxybutanamide
CID 11106604
2-(cyclopropylmethylamino)-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)acetamide
CID 119883220
tert-butyl (3R)-6-cyclohexyl-3-(5-methyl-1,3-oxazol-2-yl)hexanoate
CID 141041346
6-cyclohexyl-3-[4-[(propan-2-ylamino)methyl]-1,3-oxazol-2-yl]hexanamide
CID 142148173
(2R)-N-[(2S)-3,3-dimethyl-1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-phenylmethoxybutanediamide
CID 88504399

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-3-[5-methyl-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide?
The IUPAC name of 6-cyclohexyl-3-[5-methyl-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide (CID 22733316) is 6-cyclohexyl-3-[5-methyl-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide.
What is the SMILES notation for 6-cyclohexyl-3-[5-methyl-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide?
The canonical SMILES for 6-cyclohexyl-3-[5-methyl-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide is Cc1oc(C(CCCC2CCCCC2)CC(=O)NOCc2ccccc2)nc1CN1CCOCC1.
What is the InChIKey of 6-cyclohexyl-3-[5-methyl-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide?
The InChIKey is PJJNGSUXXDLNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3O4/c1-22-26(20-31-15-17-33-18-16-31)29-28(35-22)25(14-8-13-23-9-4-2-5-10-23)19-27(32)30-34-21-24-11-6-3-7-12-24/h3,6-7,11-12,23,25H,2,4-5,8-10,13-21H2,1H3,(H,30,32).
What are the key properties of 6-cyclohexyl-3-[5-methyl-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide?
6-cyclohexyl-3-[5-methyl-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide has a molecular weight of 483.65 g/mol, XLogP of 5.29, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-3-[5-methyl-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide is sourced from PubChem (CID 22733316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).