[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate

C20H21N3O6 — CID 8847854

IUPAC[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate
SMILESCOc1ccccc1C(=O)N[C@H](C(=O)OCc1nnc(-c2ccco2)o1)C(C)C
InChIInChI=1S/C20H21N3O6/c1-12(2)17(21-18(24)13-7-4-5-8-14(13)26-3)20(25)28-11-16-22-23-19(29-16)15-9-6-10-27-15/h4-10,12,17H,11H2,1-3H3,(H,21,24)/t17-/m0/s1
InChIKeyXPWZZZBVLIQEMM-KRWDZBQOSA-N
MW399.40 g/mol
LogP2.84
Rot. Bonds8

About [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate (PubChem CID 8847854) has the molecular formula C20H21N3O6 and a molecular weight of 399.40 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate
PubChem CID8847854
Molecular FormulaC20H21N3O6
Molecular Weight399.40 g/mol
Exact Mass399.14
IUPAC Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate
SMILESCOc1ccccc1C(=O)N[C@H](C(=O)OCc1nnc(-c2ccco2)o1)C(C)C
InChIInChI=1S/C20H21N3O6/c1-12(2)17(21-18(24)13-7-4-5-8-14(13)26-3)20(25)28-11-16-22-23-19(29-16)15-9-6-10-27-15/h4-10,12,17H,11H2,1-3H3,(H,21,24)/t17-/m0/s1
InChIKeyXPWZZZBVLIQEMM-KRWDZBQOSA-N
XLogP2.84
TPSA116.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575738
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2,3,4-trimethoxybenzoate
CID 8610388
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-hydroxybenzoate
CID 7797636
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615694
[(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate
CID 8847927
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 7726302
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-3-methylbutanoic acid
CID 43468410
[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 55926917
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-chlorobenzoyl)benzoate
CID 7812387
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-[(2-phenylacetyl)amino]acetate
CID 8523315
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (2R)-2-(4-cyanophenoxy)propanoate
CID 7977889
(2-phenyl-1,3-oxazol-4-yl)methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
CID 16564892

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate?
The IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate (CID 8847854) is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate.
What is the SMILES notation for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate?
The canonical SMILES for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate is COc1ccccc1C(=O)N[C@H](C(=O)OCc1nnc(-c2ccco2)o1)C(C)C.
What is the InChIKey of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate?
The InChIKey is XPWZZZBVLIQEMM-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21N3O6/c1-12(2)17(21-18(24)13-7-4-5-8-14(13)26-3)20(25)28-11-16-22-23-19(29-16)15-9-6-10-27-15/h4-10,12,17H,11H2,1-3H3,(H,21,24)/t17-/m0/s1.
What are the key properties of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate?
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate has a molecular weight of 399.40 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate is sourced from PubChem (CID 8847854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).