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

C14H14N2O4 — CID 18099607

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)OCc2cc(C)no2)c1
InChIInChI=1S/C14H14N2O4/c1-9-6-13(20-16-9)8-19-14(18)11-4-3-5-12(7-11)15-10(2)17/h3-7H,8H2,1-2H3,(H,15,17)
InChIKeyNIIRVGMYMFOAAN-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.30
Rot. Bonds4

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

(3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidobenzoate (PubChem CID 18099607) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidobenzoate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidobenzoate
PubChem CID18099607
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)OCc2cc(C)no2)c1
InChIInChI=1S/C14H14N2O4/c1-9-6-13(20-16-9)8-19-14(18)11-4-3-5-12(7-11)15-10(2)17/h3-7H,8H2,1-2H3,(H,15,17)
InChIKeyNIIRVGMYMFOAAN-UHFFFAOYSA-N
XLogP2.30
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methyl-1,2-oxazol-5-yl)methyl 4-acetamidobenzoate
CID 18098473
ethyl 3-acetamidobenzoate
CID 700589
(3-methyl-1,2-oxazol-5-yl)methyl 3-hydroxy-4-methylbenzoate
CID 18123565
(2,6-dichlorophenyl)methyl 3-acetamidobenzoate
CID 976117
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-acetamidobenzoate
CID 8741850
(2-phenyl-1,3-thiazol-5-yl)methyl 3-acetamidobenzoate
CID 78760953
(3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxybenzoate
CID 18099550
(5-methyl-1,2-oxazol-3-yl)methyl 3-(ethoxycarbonylamino)benzoate
CID 17418197
[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150
[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447
(3-methyl-1,2-oxazol-5-yl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 18100306
(7-methyl-2-oxochromen-4-yl)methyl 3-acetamidobenzoate
CID 2582002

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidobenzoate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidobenzoate (CID 18099607) is (3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidobenzoate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidobenzoate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidobenzoate is CC(=O)Nc1cccc(C(=O)OCc2cc(C)no2)c1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidobenzoate?
The InChIKey is NIIRVGMYMFOAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9-6-13(20-16-9)8-19-14(18)11-4-3-5-12(7-11)15-10(2)17/h3-7H,8H2,1-2H3,(H,15,17).
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidobenzoate?
(3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidobenzoate has a molecular weight of 274.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidobenzoate is sourced from PubChem (CID 18099607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).