(2-phenyl-1,3-oxazol-4-yl)methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate

C24H26N2O5 — CID 16564892

IUPAC(2-phenyl-1,3-oxazol-4-yl)methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
SMILESCCOc1ccccc1C(=O)N[C@H](C(=O)OCc1coc(-c2ccccc2)n1)C(C)C
InChIInChI=1S/C24H26N2O5/c1-4-29-20-13-9-8-12-19(20)22(27)26-21(16(2)3)24(28)31-15-18-14-30-23(25-18)17-10-6-5-7-11-17/h5-14,16,21H,4,15H2,1-3H3,(H,26,27)/t21-/m0/s1
InChIKeyHDGXKUGVVNZUED-NRFANRHFSA-N
MW422.48 g/mol
LogP4.24
Rot. Bonds9

About (2-phenyl-1,3-oxazol-4-yl)methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate

(2-phenyl-1,3-oxazol-4-yl)methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate (PubChem CID 16564892) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is (2-phenyl-1,3-oxazol-4-yl)methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Name(2-phenyl-1,3-oxazol-4-yl)methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
PubChem CID16564892
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name(2-phenyl-1,3-oxazol-4-yl)methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
SMILESCCOc1ccccc1C(=O)N[C@H](C(=O)OCc1coc(-c2ccccc2)n1)C(C)C
InChIInChI=1S/C24H26N2O5/c1-4-29-20-13-9-8-12-19(20)22(27)26-21(16(2)3)24(28)31-15-18-14-30-23(25-18)17-10-6-5-7-11-17/h5-14,16,21H,4,15H2,1-3H3,(H,26,27)/t21-/m0/s1
InChIKeyHDGXKUGVVNZUED-NRFANRHFSA-N
XLogP4.24
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate
CID 55941364
(4-methylphenyl)methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
CID 7568758
(2-amino-2-oxoethyl) (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
CID 7568691
4-[(2-ethoxyphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 78767319
quinolin-8-ylmethyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
CID 16580178
(2-phenyl-1,3-oxazol-4-yl)methyl 3-propan-2-yloxypyridine-2-carboxylate
CID 71859633
2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]butan-2-yl]benzamide
CID 41272254
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
CID 16564881
2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide
CID 47030230
[1-oxo-1-(2-phenylanilino)propan-2-yl] (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
CID 16564877
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
CID 7568781
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 9295659

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate?
The IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate (CID 16564892) is (2-phenyl-1,3-oxazol-4-yl)methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate.
What is the SMILES notation for (2-phenyl-1,3-oxazol-4-yl)methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate?
The canonical SMILES for (2-phenyl-1,3-oxazol-4-yl)methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate is CCOc1ccccc1C(=O)N[C@H](C(=O)OCc1coc(-c2ccccc2)n1)C(C)C.
What is the InChIKey of (2-phenyl-1,3-oxazol-4-yl)methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate?
The InChIKey is HDGXKUGVVNZUED-NRFANRHFSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-4-29-20-13-9-8-12-19(20)22(27)26-21(16(2)3)24(28)31-15-18-14-30-23(25-18)17-10-6-5-7-11-17/h5-14,16,21H,4,15H2,1-3H3,(H,26,27)/t21-/m0/s1.
What are the key properties of (2-phenyl-1,3-oxazol-4-yl)methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate?
(2-phenyl-1,3-oxazol-4-yl)methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate has a molecular weight of 422.48 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-oxazol-4-yl)methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate is sourced from PubChem (CID 16564892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).