(3-propyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate

C16H21N3O5 — CID 55938785

IUPAC(3-propyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
SMILESCCCc1noc(COC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)n1
InChIInChI=1S/C16H21N3O5/c1-4-6-12-17-13(24-19-12)9-23-16(21)14(10(2)3)18-15(20)11-7-5-8-22-11/h5,7-8,10,14H,4,6,9H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyUQVRLUHRXQITSQ-AWEZNQCLSA-N
MW335.36 g/mol
LogP2.11
Rot. Bonds8

About (3-propyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate

(3-propyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate (PubChem CID 55938785) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is (3-propyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate.

Molecular Properties

Compound Name(3-propyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
PubChem CID55938785
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC Name(3-propyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
SMILESCCCc1noc(COC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)n1
InChIInChI=1S/C16H21N3O5/c1-4-6-12-17-13(24-19-12)9-23-16(21)14(10(2)3)18-15(20)11-7-5-8-22-11/h5,7-8,10,14H,4,6,9H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyUQVRLUHRXQITSQ-AWEZNQCLSA-N
XLogP2.11
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7993348
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575738
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 55939021
[2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7566578
(3-chloro-4-methylquinolin-2-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575946
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 71889032
N-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 51279310
cyclohexylmethyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 51491143
(2-anilino-2-oxoethyl) (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7565951
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate
CID 55306477
N-[1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 4884407
[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate
CID 8848789

Frequently Asked Questions

What is the IUPAC name of (3-propyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
The IUPAC name of (3-propyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate (CID 55938785) is (3-propyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate.
What is the SMILES notation for (3-propyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
The canonical SMILES for (3-propyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate is CCCc1noc(COC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)n1.
What is the InChIKey of (3-propyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
The InChIKey is UQVRLUHRXQITSQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N3O5/c1-4-6-12-17-13(24-19-12)9-23-16(21)14(10(2)3)18-15(20)11-7-5-8-22-11/h5,7-8,10,14H,4,6,9H2,1-3H3,(H,18,20)/t14-/m0/s1.
What are the key properties of (3-propyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
(3-propyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate has a molecular weight of 335.36 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate is sourced from PubChem (CID 55938785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).