(5-methyl-1,3-oxazol-2-yl)methyl acetate

C7H9NO3 — CID 53488039

IUPAC(5-methyl-1,3-oxazol-2-yl)methyl acetate
SMILESCC(=O)OCc1ncc(C)o1
InChIInChI=1S/C7H9NO3/c1-5-3-8-7(11-5)4-10-6(2)9/h3H,4H2,1-2H3
InChIKeyZAXHBOPNKYWBQE-UHFFFAOYSA-N
MW155.15 g/mol
LogP1.05
Rot. Bonds2

About (5-methyl-1,3-oxazol-2-yl)methyl acetate

(5-methyl-1,3-oxazol-2-yl)methyl acetate (PubChem CID 53488039) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is (5-methyl-1,3-oxazol-2-yl)methyl acetate.

Molecular Properties

Compound Name(5-methyl-1,3-oxazol-2-yl)methyl acetate
PubChem CID53488039
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name(5-methyl-1,3-oxazol-2-yl)methyl acetate
SMILESCC(=O)OCc1ncc(C)o1
InChIInChI=1S/C7H9NO3/c1-5-3-8-7(11-5)4-10-6(2)9/h3H,4H2,1-2H3
InChIKeyZAXHBOPNKYWBQE-UHFFFAOYSA-N
XLogP1.05
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-oxazole
CID 148627248
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 83622965
(5-methyl-1,3-oxazol-2-yl)methyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate
CID 75448900
2-hydroxyethyl N-[(5-methyl-1,3-oxazol-2-yl)methyl]carbamate
CID 106377717
4-(5-methyl-1,3-oxazol-2-yl)-2-oxobutanoic acid
CID 82407405
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 106372016
1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 103738715
2-(ethylsulfonylmethyl)-5-methyl-1,3-oxazole
CID 117187900
5-methyl-2-(methylsulfonylmethyl)-1,3-oxazole
CID 117187897
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]butanamide
CID 106371987
2-amino-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanoic acid
CID 106373556
N-(1-aminopropan-2-yl)-2-(5-methyl-1,3-oxazol-2-yl)acetamide
CID 83617650

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3-oxazol-2-yl)methyl acetate?
The IUPAC name of (5-methyl-1,3-oxazol-2-yl)methyl acetate (CID 53488039) is (5-methyl-1,3-oxazol-2-yl)methyl acetate.
What is the SMILES notation for (5-methyl-1,3-oxazol-2-yl)methyl acetate?
The canonical SMILES for (5-methyl-1,3-oxazol-2-yl)methyl acetate is CC(=O)OCc1ncc(C)o1.
What is the InChIKey of (5-methyl-1,3-oxazol-2-yl)methyl acetate?
The InChIKey is ZAXHBOPNKYWBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-5-3-8-7(11-5)4-10-6(2)9/h3H,4H2,1-2H3.
What are the key properties of (5-methyl-1,3-oxazol-2-yl)methyl acetate?
(5-methyl-1,3-oxazol-2-yl)methyl acetate has a molecular weight of 155.15 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3-oxazol-2-yl)methyl acetate is sourced from PubChem (CID 53488039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).