(3R)-6-cyclohexyl-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]hexanoic acid

C18H28N2O4 — CID 139958657

IUPAC(3R)-6-cyclohexyl-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]hexanoic acid
SMILESCN(C)C(=O)c1coc([C@H](CCCC2CCCCC2)CC(=O)O)n1
InChIInChI=1S/C18H28N2O4/c1-20(2)18(23)15-12-24-17(19-15)14(11-16(21)22)10-6-9-13-7-4-3-5-8-13/h12-14H,3-11H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyMKJSOSZEXMGUHI-CQSZACIVSA-N
MW336.43 g/mol
LogP3.69
Rot. Bonds8

About (3R)-6-cyclohexyl-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]hexanoic acid

(3R)-6-cyclohexyl-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]hexanoic acid (PubChem CID 139958657) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is (3R)-6-cyclohexyl-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]hexanoic acid.

Molecular Properties

Compound Name(3R)-6-cyclohexyl-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]hexanoic acid
PubChem CID139958657
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name(3R)-6-cyclohexyl-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]hexanoic acid
SMILESCN(C)C(=O)c1coc([C@H](CCCC2CCCCC2)CC(=O)O)n1
InChIInChI=1S/C18H28N2O4/c1-20(2)18(23)15-12-24-17(19-15)14(11-16(21)22)10-6-9-13-7-4-3-5-8-13/h12-14H,3-11H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyMKJSOSZEXMGUHI-CQSZACIVSA-N
XLogP3.69
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(3-ethyl-1,2,4-oxadiazol-5-yl)hexanoic acid
CID 59074822
(3R)-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]-5-oxopentanoic acid
CID 87991310
(3R)-6-cyclohexyl-3-[4-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-N-hydroxyhexanamide
CID 59917738
6-cyclohexyl-3-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 22480859
(3R)-6-cyclohexyl-3-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 59909835
6-cyclohexyl-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 22733095
(3R)-6-cyclohexyl-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 59909767
(3R)-6-cyclohexyl-3-[3-[(cyclopropanecarbonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;ethane
CID 142148177
(3S)-6-cyclohexyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid
CID 135712659
(3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;(3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide
CID 159714511
6-cyclohexyl-3-[4-[(propan-2-ylamino)methyl]-1,3-oxazol-2-yl]hexanamide
CID 142148173

Frequently Asked Questions

What is the IUPAC name of (3R)-6-cyclohexyl-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]hexanoic acid?
The IUPAC name of (3R)-6-cyclohexyl-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]hexanoic acid (CID 139958657) is (3R)-6-cyclohexyl-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]hexanoic acid.
What is the SMILES notation for (3R)-6-cyclohexyl-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]hexanoic acid?
The canonical SMILES for (3R)-6-cyclohexyl-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]hexanoic acid is CN(C)C(=O)c1coc([C@H](CCCC2CCCCC2)CC(=O)O)n1.
What is the InChIKey of (3R)-6-cyclohexyl-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]hexanoic acid?
The InChIKey is MKJSOSZEXMGUHI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-20(2)18(23)15-12-24-17(19-15)14(11-16(21)22)10-6-9-13-7-4-3-5-8-13/h12-14H,3-11H2,1-2H3,(H,21,22)/t14-/m1/s1.
What are the key properties of (3R)-6-cyclohexyl-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]hexanoic acid?
(3R)-6-cyclohexyl-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]hexanoic acid has a molecular weight of 336.43 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-cyclohexyl-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]hexanoic acid is sourced from PubChem (CID 139958657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).