[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate

C18H21N3O6 — CID 16591628

IUPAC[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
SMILESCOc1ccc(C(=O)N[C@H](C(=O)OCC(=O)Nc2ccon2)C(C)C)cc1
InChIInChI=1S/C18H21N3O6/c1-11(2)16(20-17(23)12-4-6-13(25-3)7-5-12)18(24)26-10-15(22)19-14-8-9-27-21-14/h4-9,11,16H,10H2,1-3H3,(H,20,23)(H,19,21,22)/t16-/m0/s1
InChIKeyWVZDQSAGVOLRLA-INIZCTEOSA-N
MW375.38 g/mol
LogP1.62
Rot. Bonds8

About [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate

[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate (PubChem CID 16591628) has the molecular formula C18H21N3O6 and a molecular weight of 375.38 g/mol. Its IUPAC name is [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Name[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
PubChem CID16591628
Molecular FormulaC18H21N3O6
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Name[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
SMILESCOc1ccc(C(=O)N[C@H](C(=O)OCC(=O)Nc2ccon2)C(C)C)cc1
InChIInChI=1S/C18H21N3O6/c1-11(2)16(20-17(23)12-4-6-13(25-3)7-5-12)18(24)26-10-15(22)19-14-8-9-27-21-14/h4-9,11,16H,10H2,1-3H3,(H,20,23)(H,19,21,22)/t16-/m0/s1
InChIKeyWVZDQSAGVOLRLA-INIZCTEOSA-N
XLogP1.62
TPSA119.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate with MolForge

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Related Compounds

[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 7568541
(2-amino-2-oxoethyl) (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 7568293
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 7568540
[2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate
CID 2582854
[2-(3,5-dimethoxyanilino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2583030
[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 7568416
[2-(4-methylanilino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate
CID 55306175
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 16596743
methyl 4-[[(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]oxymethyl]benzoate
CID 7568295
[2-(4-methoxyanilino)-2-oxoethyl] (2R)-3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 8556562
[2-[(6-methoxy-3-pyridinyl)amino]-2-oxoethyl] (2R)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate
CID 7987092
[2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] (2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
CID 98386005

Frequently Asked Questions

What is the IUPAC name of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate?
The IUPAC name of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate (CID 16591628) is [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate.
What is the SMILES notation for [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate?
The canonical SMILES for [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate is COc1ccc(C(=O)N[C@H](C(=O)OCC(=O)Nc2ccon2)C(C)C)cc1.
What is the InChIKey of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate?
The InChIKey is WVZDQSAGVOLRLA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N3O6/c1-11(2)16(20-17(23)12-4-6-13(25-3)7-5-12)18(24)26-10-15(22)19-14-8-9-27-21-14/h4-9,11,16H,10H2,1-3H3,(H,20,23)(H,19,21,22)/t16-/m0/s1.
What are the key properties of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate?
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate has a molecular weight of 375.38 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate is sourced from PubChem (CID 16591628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).