(3-methyl-1,2-oxazol-5-yl)methyl 4-acetamidobenzoate

C14H14N2O4 — CID 18098473

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCc2cc(C)no2)cc1
InChIInChI=1S/C14H14N2O4/c1-9-7-13(20-16-9)8-19-14(18)11-3-5-12(6-4-11)15-10(2)17/h3-7H,8H2,1-2H3,(H,15,17)
InChIKeyKBDVSDVKSMENSV-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.30
Rot. Bonds4

About (3-methyl-1,2-oxazol-5-yl)methyl 4-acetamidobenzoate

(3-methyl-1,2-oxazol-5-yl)methyl 4-acetamidobenzoate (PubChem CID 18098473) 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 4-acetamidobenzoate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl 4-acetamidobenzoate
PubChem CID18098473
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCc2cc(C)no2)cc1
InChIInChI=1S/C14H14N2O4/c1-9-7-13(20-16-9)8-19-14(18)11-3-5-12(6-4-11)15-10(2)17/h3-7H,8H2,1-2H3,(H,15,17)
InChIKeyKBDVSDVKSMENSV-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 3-acetamidobenzoate
CID 18099607
(3-methyl-1,2-oxazol-5-yl)methyl 3-hydroxy-4-methylbenzoate
CID 18123565
(3-methyl-1,2-oxazol-5-yl)methyl 4-[(4-bromophenyl)sulfonylamino]benzoate
CID 35513152
(3-methyl-1,2-oxazol-5-yl)methyl 4-(methylsulfonylmethyl)benzoate
CID 31801590
(3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxybenzoate
CID 18099550
(3-methyl-1,2-oxazol-5-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate
CID 33084402
(3-methyl-1,2-oxazol-5-yl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 18100306
(3-methyl-1,2-oxazol-5-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate
CID 18141838
(3-methyl-1,2-oxazol-5-yl)methyl 4-chloro-3-sulfamoylbenzoate
CID 32709670
ethyl 4-(4-acetamidophenyl)benzoate
CID 134688952
(2,3,4,5,6-pentafluorophenyl)methyl 4-acetamidobenzoate
CID 7957966
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 4-acetamidobenzoate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 4-acetamidobenzoate (CID 18098473) is (3-methyl-1,2-oxazol-5-yl)methyl 4-acetamidobenzoate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl 4-acetamidobenzoate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl 4-acetamidobenzoate is CC(=O)Nc1ccc(C(=O)OCc2cc(C)no2)cc1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl 4-acetamidobenzoate?
The InChIKey is KBDVSDVKSMENSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9-7-13(20-16-9)8-19-14(18)11-3-5-12(6-4-11)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 4-acetamidobenzoate?
(3-methyl-1,2-oxazol-5-yl)methyl 4-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 4-acetamidobenzoate is sourced from PubChem (CID 18098473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).