5-(methoxymethyl)-3-[(2R)-2-methylbutyl]-1,3,4-oxadiazol-2-one

C9H16N2O3 — CID 99579004

IUPAC5-(methoxymethyl)-3-[(2R)-2-methylbutyl]-1,3,4-oxadiazol-2-one
SMILESCC[C@@H](C)Cn1nc(COC)oc1=O
InChIInChI=1S/C9H16N2O3/c1-4-7(2)5-11-9(12)14-8(10-11)6-13-3/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyMORUHTLPFKVODR-SSDOTTSWSA-N
MW200.24 g/mol
LogP1.03
Rot. Bonds5

About 5-(methoxymethyl)-3-[(2R)-2-methylbutyl]-1,3,4-oxadiazol-2-one

5-(methoxymethyl)-3-[(2R)-2-methylbutyl]-1,3,4-oxadiazol-2-one (PubChem CID 99579004) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-[(2R)-2-methylbutyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(methoxymethyl)-3-[(2R)-2-methylbutyl]-1,3,4-oxadiazol-2-one
PubChem CID99579004
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name5-(methoxymethyl)-3-[(2R)-2-methylbutyl]-1,3,4-oxadiazol-2-one
SMILESCC[C@@H](C)Cn1nc(COC)oc1=O
InChIInChI=1S/C9H16N2O3/c1-4-7(2)5-11-9(12)14-8(10-11)6-13-3/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyMORUHTLPFKVODR-SSDOTTSWSA-N
XLogP1.03
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(difluoromethoxy)phenyl]methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-one
CID 71919413
3-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-one
CID 75380174
5-(methoxymethyl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one
CID 75446523
3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-one
CID 75446528
4-[2-[5-(methoxymethyl)-2-oxo-1,3,4-oxadiazol-3-yl]ethyl]-1,4-benzoxazin-3-one
CID 75451546
5-(methoxymethyl)-3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-one
CID 75446420
5-[(4-aminophenyl)methyl]-3-ethyl-1,3,4-oxadiazol-2-one
CID 45095362
5-(methoxymethyl)-3-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-one
CID 75436028
3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-propyl-1,3,4-oxadiazol-2-one
CID 97243364
3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-one
CID 109412535
3-[2-(2-bromophenyl)-2-hydroxyethyl]-5-propyl-1,3,4-oxadiazol-2-one
CID 109412529
ethane;2-[4-[4-(5-oxo-4-propyl-1,3,4-oxadiazol-2-yl)butyl]phenoxy]propanoic acid
CID 142245015

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-3-[(2R)-2-methylbutyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(methoxymethyl)-3-[(2R)-2-methylbutyl]-1,3,4-oxadiazol-2-one (CID 99579004) is 5-(methoxymethyl)-3-[(2R)-2-methylbutyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(methoxymethyl)-3-[(2R)-2-methylbutyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(methoxymethyl)-3-[(2R)-2-methylbutyl]-1,3,4-oxadiazol-2-one is CC[C@@H](C)Cn1nc(COC)oc1=O.
What is the InChIKey of 5-(methoxymethyl)-3-[(2R)-2-methylbutyl]-1,3,4-oxadiazol-2-one?
The InChIKey is MORUHTLPFKVODR-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-4-7(2)5-11-9(12)14-8(10-11)6-13-3/h7H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of 5-(methoxymethyl)-3-[(2R)-2-methylbutyl]-1,3,4-oxadiazol-2-one?
5-(methoxymethyl)-3-[(2R)-2-methylbutyl]-1,3,4-oxadiazol-2-one has a molecular weight of 200.24 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3-[(2R)-2-methylbutyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 99579004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).