5-(methoxymethyl)-3-methyl-1,2-oxazole

C6H9NO2 — CID 542401

IUPAC5-(methoxymethyl)-3-methyl-1,2-oxazole
SMILESCOCc1cc(C)no1
InChIInChI=1S/C6H9NO2/c1-5-3-6(4-8-2)9-7-5/h3H,4H2,1-2H3
InChIKeyBIHKMPQQASOGPQ-UHFFFAOYSA-N
MW127.14 g/mol
LogP1.13
Rot. Bonds2

About 5-(methoxymethyl)-3-methyl-1,2-oxazole

5-(methoxymethyl)-3-methyl-1,2-oxazole (PubChem CID 542401) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(methoxymethyl)-3-methyl-1,2-oxazole
PubChem CID542401
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name5-(methoxymethyl)-3-methyl-1,2-oxazole
SMILESCOCc1cc(C)no1
InChIInChI=1S/C6H9NO2/c1-5-3-6(4-8-2)9-7-5/h3H,4H2,1-2H3
InChIKeyBIHKMPQQASOGPQ-UHFFFAOYSA-N
XLogP1.13
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Methylisoxazol-5-yl)methanol
CID 10820493
Methyl 3-methylisoxazole-5-carboxylate
CID 70492
3-Methylisoxazole-5-carboxylic acid ethyl ester
CID 10329487
(3-(Trifluoromethyl)-1,2-oxazol-5-yl)methanol
CID 13307993
[5-(Methoxymethyl)-1,2-oxazol-3-yl]methanol
CID 19958730
3-(Chloromethyl)-5-(methoxymethyl)-1,2-oxazole
CID 19958785
5-(Methoxymethyl)-1,2-oxazole-3-carbaldehyde
CID 20099062
Methyl 3-formyl-1,2-oxazole-5-carboxylate
CID 82416446
Ethyl 3-(chloromethyl)isoxazole-5-carboxylate
CID 89816484
4-Bromo-5-(methoxymethyl)-3-methyl-1,2-oxazole
CID 129897461
2-[5-(Methoxymethyl)-1,2-oxazol-3-yl]acetonitrile
CID 138987656
{5-[(Tert-butoxy)methyl]-1,2-oxazol-3-yl}methanamine
CID 62457747

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(methoxymethyl)-3-methyl-1,2-oxazole (CID 542401) is 5-(methoxymethyl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(methoxymethyl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(methoxymethyl)-3-methyl-1,2-oxazole is COCc1cc(C)no1.
What is the InChIKey of 5-(methoxymethyl)-3-methyl-1,2-oxazole?
The InChIKey is BIHKMPQQASOGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-5-3-6(4-8-2)9-7-5/h3H,4H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-3-methyl-1,2-oxazole?
5-(methoxymethyl)-3-methyl-1,2-oxazole has a molecular weight of 127.14 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 542401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).