(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(3-fluorobenzoyl)amino]acetate

C15H15FN2O4 — CID 2435653

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(3-fluorobenzoyl)amino]acetate
SMILESCc1noc(C)c1COC(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C15H15FN2O4/c1-9-13(10(2)22-18-9)8-21-14(19)7-17-15(20)11-4-3-5-12(16)6-11/h3-6H,7-8H2,1-2H3,(H,17,20)
InChIKeyGAZOPNMJMVMJQA-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.90
Rot. Bonds5

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(3-fluorobenzoyl)amino]acetate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(3-fluorobenzoyl)amino]acetate (PubChem CID 2435653) has the molecular formula C15H15FN2O4 and a molecular weight of 306.29 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(3-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(3-fluorobenzoyl)amino]acetate
PubChem CID2435653
Molecular FormulaC15H15FN2O4
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(3-fluorobenzoyl)amino]acetate
SMILESCc1noc(C)c1COC(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C15H15FN2O4/c1-9-13(10(2)22-18-9)8-21-14(19)7-17-15(20)11-4-3-5-12(16)6-11/h3-6H,7-8H2,1-2H3,(H,17,20)
InChIKeyGAZOPNMJMVMJQA-UHFFFAOYSA-N
XLogP1.90
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)methyl (2S)-2-benzamido-3-methylbutanoate
CID 2435899
[2-(4-Carbamoylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2570326
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2681595
(2-Benzamido-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7660698
[2-Oxo-2-(1-phenylethylamino)ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 16306830
ethyl (E,4S)-7-amino-4-[[(2S)-3-(4-fluorophenyl)-2-[[(2S)-3-methyl-2-[(5-methylisoxazole-3-carbonyl)amino]butanoyl]amino]propanoyl]amino]-7-oxo-hept-2-enoate
CID 6476894
6-Carbamoyl-4-[3-(4-fluoro-phenyl)-2-(methyl-{4-methyl-2-[(5-methyl-isoxazole-3-carbonyl)-amino]-pentanoyl}-amino)-propionylamino]-hex-2-enoic acid ethyl ester
CID 15547374
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 2404496
[2-(Benzhydrylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2416796
(3,5-dimethyl-1,2-oxazol-4-yl)methyl (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 2456379
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 24687409
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 24982237

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(3-fluorobenzoyl)amino]acetate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(3-fluorobenzoyl)amino]acetate (CID 2435653) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(3-fluorobenzoyl)amino]acetate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(3-fluorobenzoyl)amino]acetate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(3-fluorobenzoyl)amino]acetate is Cc1noc(C)c1COC(=O)CNC(=O)c1cccc(F)c1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(3-fluorobenzoyl)amino]acetate?
The InChIKey is GAZOPNMJMVMJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4/c1-9-13(10(2)22-18-9)8-21-14(19)7-17-15(20)11-4-3-5-12(16)6-11/h3-6H,7-8H2,1-2H3,(H,17,20).
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(3-fluorobenzoyl)amino]acetate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(3-fluorobenzoyl)amino]acetate has a molecular weight of 306.29 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(3-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 2435653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).