N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

C11H18N2O5 — CID 107845762

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)NC(CO)(CO)CO
InChIInChI=1S/C11H18N2O5/c1-7-9(8(2)18-13-7)3-10(17)12-11(4-14,5-15)6-16/h14-16H,3-6H2,1-2H3,(H,12,17)
InChIKeyJFRRZQPMDVUJMD-UHFFFAOYSA-N
MW258.27 g/mol
LogP-1.33
Rot. Bonds6

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 107845762) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID107845762
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)NC(CO)(CO)CO
InChIInChI=1S/C11H18N2O5/c1-7-9(8(2)18-13-7)3-10(17)12-11(4-14,5-15)6-16/h14-16H,3-6H2,1-2H3,(H,12,17)
InChIKeyJFRRZQPMDVUJMD-UHFFFAOYSA-N
XLogP-1.33
TPSA115.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-1.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyclohexyl-1-hydroxypropan-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 86803212
N-(2,3-dihydroxy-2-methylpropyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 66168831
N-(1-amino-2-methylpropan-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride
CID 119522371
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 113356510
3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]propanoic acid
CID 16770026
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103751044
N-[2-(dimethylamino)-2-oxoethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 31337042
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide
CID 114079008
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
CID 64556156
N-[3,5-bis(trifluoromethyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 78802108
N-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride
CID 119565839
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
CID 99695697

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 107845762) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is Cc1noc(C)c1CC(=O)NC(CO)(CO)CO.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is JFRRZQPMDVUJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-7-9(8(2)18-13-7)3-10(17)12-11(4-14,5-15)6-16/h14-16H,3-6H2,1-2H3,(H,12,17).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 258.27 g/mol, XLogP of -1.33, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 107845762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).