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

C30H45N3O3 — CID 58860999

IUPAC(3R)-6-cyclohexyl-3-[4-[(cyclohexylamino)methyl]-5-methyl-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide
SMILESCc1oc([C@H](CCCC2CCCCC2)CC(=O)NOCc2ccccc2)nc1CNC1CCCCC1
InChIInChI=1S/C30H45N3O3/c1-23-28(21-31-27-18-9-4-10-19-27)32-30(36-23)26(17-11-16-24-12-5-2-6-13-24)20-29(34)33-35-22-25-14-7-3-8-15-25/h3,7-8,14-15,24,26-27,31H,2,4-6,9-13,16-22H2,1H3,(H,33,34)/t26-/m1/s1
InChIKeyWQNQCFQHLHALSK-AREMUKBSSA-N
MW495.71 g/mol
LogP6.88
Rot. Bonds13

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

(3R)-6-cyclohexyl-3-[4-[(cyclohexylamino)methyl]-5-methyl-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide (PubChem CID 58860999) has the molecular formula C30H45N3O3 and a molecular weight of 495.71 g/mol. Its IUPAC name is (3R)-6-cyclohexyl-3-[4-[(cyclohexylamino)methyl]-5-methyl-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide.

Molecular Properties

Compound Name(3R)-6-cyclohexyl-3-[4-[(cyclohexylamino)methyl]-5-methyl-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide
PubChem CID58860999
Molecular FormulaC30H45N3O3
Molecular Weight495.71 g/mol
Exact Mass495.35
IUPAC Name(3R)-6-cyclohexyl-3-[4-[(cyclohexylamino)methyl]-5-methyl-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide
SMILESCc1oc([C@H](CCCC2CCCCC2)CC(=O)NOCc2ccccc2)nc1CNC1CCCCC1
InChIInChI=1S/C30H45N3O3/c1-23-28(21-31-27-18-9-4-10-19-27)32-30(36-23)26(17-11-16-24-12-5-2-6-13-24)20-29(34)33-35-22-25-14-7-3-8-15-25/h3,7-8,14-15,24,26-27,31H,2,4-6,9-13,16-22H2,1H3,(H,33,34)/t26-/m1/s1
InChIKeyWQNQCFQHLHALSK-AREMUKBSSA-N
XLogP6.88
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.71
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R)-6-cyclohexyl-3-[4-[(cyclohexylamino)methyl]-5-methyl-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide with MolForge

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Related Compounds

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
(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
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
(3R)-6-cyclohexyl-3-[4-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-N-hydroxyhexanamide
CID 59917738
(3R)-3-hydroxy-N-phenylmethoxybutanamide
CID 11106604
6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 22480863
6-cyclohexyl-3-[3-[(2-ethoxy-2-oxoethoxy)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 22480784

Frequently Asked Questions

What is the IUPAC name of (3R)-6-cyclohexyl-3-[4-[(cyclohexylamino)methyl]-5-methyl-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide?
The IUPAC name of (3R)-6-cyclohexyl-3-[4-[(cyclohexylamino)methyl]-5-methyl-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide (CID 58860999) is (3R)-6-cyclohexyl-3-[4-[(cyclohexylamino)methyl]-5-methyl-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide.
What is the SMILES notation for (3R)-6-cyclohexyl-3-[4-[(cyclohexylamino)methyl]-5-methyl-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide?
The canonical SMILES for (3R)-6-cyclohexyl-3-[4-[(cyclohexylamino)methyl]-5-methyl-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide is Cc1oc([C@H](CCCC2CCCCC2)CC(=O)NOCc2ccccc2)nc1CNC1CCCCC1.
What is the InChIKey of (3R)-6-cyclohexyl-3-[4-[(cyclohexylamino)methyl]-5-methyl-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide?
The InChIKey is WQNQCFQHLHALSK-AREMUKBSSA-N. The full InChI is InChI=1S/C30H45N3O3/c1-23-28(21-31-27-18-9-4-10-19-27)32-30(36-23)26(17-11-16-24-12-5-2-6-13-24)20-29(34)33-35-22-25-14-7-3-8-15-25/h3,7-8,14-15,24,26-27,31H,2,4-6,9-13,16-22H2,1H3,(H,33,34)/t26-/m1/s1.
What are the key properties of (3R)-6-cyclohexyl-3-[4-[(cyclohexylamino)methyl]-5-methyl-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide?
(3R)-6-cyclohexyl-3-[4-[(cyclohexylamino)methyl]-5-methyl-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide has a molecular weight of 495.71 g/mol, XLogP of 6.88, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-cyclohexyl-3-[4-[(cyclohexylamino)methyl]-5-methyl-1,3-oxazol-2-yl]-N-phenylmethoxyhexanamide is sourced from PubChem (CID 58860999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).