3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide

C16H26N2O4 — CID 110125632

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide
SMILESCO[C@@H]1CCC[C@@H](N(C)C(=O)CCc2c(C)noc2C)[C@H]1O
InChIInChI=1S/C16H26N2O4/c1-10-12(11(2)22-17-10)8-9-15(19)18(3)13-6-5-7-14(21-4)16(13)20/h13-14,16,20H,5-9H2,1-4H3/t13-,14-,16-/m1/s1
InChIKeyFRDSWERNYGUIBC-IIAWOOMASA-N
MW310.39 g/mol
LogP1.61
Rot. Bonds5

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide (PubChem CID 110125632) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide
PubChem CID110125632
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide
SMILESCO[C@@H]1CCC[C@@H](N(C)C(=O)CCc2c(C)noc2C)[C@H]1O
InChIInChI=1S/C16H26N2O4/c1-10-12(11(2)22-17-10)8-9-15(19)18(3)13-6-5-7-14(21-4)16(13)20/h13-14,16,20H,5-9H2,1-4H3/t13-,14-,16-/m1/s1
InChIKeyFRDSWERNYGUIBC-IIAWOOMASA-N
XLogP1.61
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide
CID 110125282
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CID 110125695
N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
CID 162631905
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethylpropanamide
CID 60645997
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102634876
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl-methylamino]acetic acid
CID 43239752
N-(2,3-dihydro-1H-inden-1-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
CID 42885693
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 33080733
(3,3-dimethylcyclohexyl) 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate
CID 154841642
N-[2-(dimethylamino)-2-oxoethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
CID 86908122
cyclohexyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate
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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide (CID 110125632) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide is CO[C@@H]1CCC[C@@H](N(C)C(=O)CCc2c(C)noc2C)[C@H]1O.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide?
The InChIKey is FRDSWERNYGUIBC-IIAWOOMASA-N. The full InChI is InChI=1S/C16H26N2O4/c1-10-12(11(2)22-17-10)8-9-15(19)18(3)13-6-5-7-14(21-4)16(13)20/h13-14,16,20H,5-9H2,1-4H3/t13-,14-,16-/m1/s1.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide has a molecular weight of 310.39 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide is sourced from PubChem (CID 110125632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).