N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide

C11H16N2O4 — CID 110125439

IUPACN-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)N[C@@H]1CCC[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H16N2O4/c1-6-10(17-5-12-6)11(16)13-7-3-2-4-8(14)9(7)15/h5,7-9,14-15H,2-4H2,1H3,(H,13,16)/t7-,8-,9-/m1/s1
InChIKeyDKPJMGBZOBZYBH-IWSPIJDZSA-N
MW240.26 g/mol
LogP-0.01
Rot. Bonds2

About N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide

N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 110125439) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID110125439
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC NameN-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)N[C@@H]1CCC[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H16N2O4/c1-6-10(17-5-12-6)11(16)13-7-3-2-4-8(14)9(7)15/h5,7-9,14-15H,2-4H2,1H3,(H,13,16)/t7-,8-,9-/m1/s1
InChIKeyDKPJMGBZOBZYBH-IWSPIJDZSA-N
XLogP-0.01
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanocyclopentyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 79605102
N-[2-(bromomethyl)cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 106367227
N-(4-aminocyclohexyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 81478804
4-methyl-N-piperidin-3-yl-1,3-oxazole-5-carboxamide
CID 81471254
methyl 4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylate
CID 113248111
N-[(2-chlorocyclopentyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 114303022
N-[(1R,2S,3S)-2,3-dihydroxycyclohexyl]acetamide
CID 101197936
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]pyridine-4-carboxamide
CID 110125810
4-methyl-N-[1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide
CID 156603934
N-[(3R,4S)-1-(1,3-dihydroxypropan-2-yl)-4-propan-2-ylpyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 86283365
4-bromo-N-[(1R,2S,3R)-2,3-dihydroxycyclohexyl]-2,5-dimethylbenzamide
CID 166315871
N-[cyano(cyclohexyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 79676947

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide (CID 110125439) is N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)N[C@@H]1CCC[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is DKPJMGBZOBZYBH-IWSPIJDZSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-6-10(17-5-12-6)11(16)13-7-3-2-4-8(14)9(7)15/h5,7-9,14-15H,2-4H2,1H3,(H,13,16)/t7-,8-,9-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide?
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 240.26 g/mol, XLogP of -0.01, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 110125439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).