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

C14H22N2O4 — CID 110125282

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide
SMILESCO[C@@H]1CC[C@@H](N(C)C(=O)Cc2c(C)noc2C)[C@H]1O
InChIInChI=1S/C14H22N2O4/c1-8-10(9(2)20-15-8)7-13(17)16(3)11-5-6-12(19-4)14(11)18/h11-12,14,18H,5-7H2,1-4H3/t11-,12-,14-/m1/s1
InChIKeySKYGSAKGVPBNKU-YRGRVCCFSA-N
MW282.34 g/mol
LogP0.83
Rot. Bonds4

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

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide (PubChem CID 110125282) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide
PubChem CID110125282
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide
SMILESCO[C@@H]1CC[C@@H](N(C)C(=O)Cc2c(C)noc2C)[C@H]1O
InChIInChI=1S/C14H22N2O4/c1-8-10(9(2)20-15-8)7-13(17)16(3)11-5-6-12(19-4)14(11)18/h11-12,14,18H,5-7H2,1-4H3/t11-,12-,14-/m1/s1
InChIKeySKYGSAKGVPBNKU-YRGRVCCFSA-N
XLogP0.83
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide
CID 110125632
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102634876
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 110125265
2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide
CID 110125284
methyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]acetate
CID 43407679
N-cyclohexyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethylacetamide
CID 52551442
methyl 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]propanoate
CID 54979990
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 97313614
N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 75414997
2-cyclopentyloxy-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide
CID 75461539
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]acetamide
CID 122560707
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,2R)-2-ethoxycyclopropyl]acetamide
CID 99798346

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide (CID 110125282) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide is CO[C@@H]1CC[C@@H](N(C)C(=O)Cc2c(C)noc2C)[C@H]1O.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide?
The InChIKey is SKYGSAKGVPBNKU-YRGRVCCFSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-8-10(9(2)20-15-8)7-13(17)16(3)11-5-6-12(19-4)14(11)18/h11-12,14,18H,5-7H2,1-4H3/t11-,12-,14-/m1/s1.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide has a molecular weight of 282.34 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide is sourced from PubChem (CID 110125282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).