[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate

C24H28N2O5 — CID 18285399

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate
SMILESCC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCc1cc(-c2ccco2)on1
InChIInChI=1S/C24H28N2O5/c1-15(2)21(25-22(27)16-8-10-17(11-9-16)24(3,4)5)23(28)30-14-18-13-20(31-26-18)19-7-6-12-29-19/h6-13,15,21H,14H2,1-5H3,(H,25,27)/t21-/m0/s1
InChIKeyPICTUPXXHDZHHI-NRFANRHFSA-N
MW424.50 g/mol
LogP4.73
Rot. Bonds7

About [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate

[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate (PubChem CID 18285399) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate
PubChem CID18285399
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate
SMILESCC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCc1cc(-c2ccco2)on1
InChIInChI=1S/C24H28N2O5/c1-15(2)21(25-22(27)16-8-10-17(11-9-16)24(3,4)5)23(28)30-14-18-13-20(31-26-18)19-7-6-12-29-19/h6-13,15,21H,14H2,1-5H3,(H,25,27)/t21-/m0/s1
InChIKeyPICTUPXXHDZHHI-NRFANRHFSA-N
XLogP4.73
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate with MolForge

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Related Compounds

[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate
CID 32738915
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-propan-2-yloxybenzamide
CID 30607978
(2S)-2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-3-methylbutanoic acid
CID 61136607
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-benzoylbenzoate
CID 8808452
(4-fluorophenyl)methyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate
CID 7564642
4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]benzoic acid
CID 43214757
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-methoxy-4-(3-methylbutoxy)benzoate
CID 16564672
N-butan-2-yl-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]acetamide
CID 17254268
4-tert-butyl-N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 9366689
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dimethylbutanamide
CID 118334208
2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-3-methylpentanoic acid
CID 43356526
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-(3-hydroxy-3-methylbut-1-ynyl)benzamide
CID 50971172

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate (CID 18285399) is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate is CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCc1cc(-c2ccco2)on1.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate?
The InChIKey is PICTUPXXHDZHHI-NRFANRHFSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-15(2)21(25-22(27)16-8-10-17(11-9-16)24(3,4)5)23(28)30-14-18-13-20(31-26-18)19-7-6-12-29-19/h6-13,15,21H,14H2,1-5H3,(H,25,27)/t21-/m0/s1.
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate?
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate has a molecular weight of 424.50 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate is sourced from PubChem (CID 18285399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).