(3,5-dimethyl-1,2-oxazol-4-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate

C16H20N2O5 — CID 7993348

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
SMILESCc1noc(C)c1COC(=O)[C@@H](NC(=O)c1ccco1)C(C)C
InChIInChI=1S/C16H20N2O5/c1-9(2)14(17-15(19)13-6-5-7-21-13)16(20)22-8-12-10(3)18-23-11(12)4/h5-7,9,14H,8H2,1-4H3,(H,17,19)/t14-/m0/s1
InChIKeyMBCVLKRNUGKQAC-AWEZNQCLSA-N
MW320.35 g/mol
LogP2.38
Rot. Bonds6

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

(3,5-dimethyl-1,2-oxazol-4-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate (PubChem CID 7993348) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
PubChem CID7993348
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
SMILESCc1noc(C)c1COC(=O)[C@@H](NC(=O)c1ccco1)C(C)C
InChIInChI=1S/C16H20N2O5/c1-9(2)14(17-15(19)13-6-5-7-21-13)16(20)22-8-12-10(3)18-23-11(12)4/h5-7,9,14H,8H2,1-4H3,(H,17,19)/t14-/m0/s1
InChIKeyMBCVLKRNUGKQAC-AWEZNQCLSA-N
XLogP2.38
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-methyl-2-(phenylcarbamoylamino)butanoate
CID 42899690
(3-propyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 55938785
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575738
dimethyl 5-amino-3-[[(2S)-2-(furan-2-carbonylamino)-3-methylbutanoyl]oxymethyl]thiophene-2,4-dicarboxylate
CID 51581817
(3-chloro-4-methylquinolin-2-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575946
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
ethyl (4R)-6-[[(2S)-2-(furan-2-carbonylamino)-3-methylbutanoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7566655
[2-(2,6-dichloroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575621
[2-(4-chloroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575614

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate (CID 7993348) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate is Cc1noc(C)c1COC(=O)[C@@H](NC(=O)c1ccco1)C(C)C.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
The InChIKey is MBCVLKRNUGKQAC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-9(2)14(17-15(19)13-6-5-7-21-13)16(20)22-8-12-10(3)18-23-11(12)4/h5-7,9,14H,8H2,1-4H3,(H,17,19)/t14-/m0/s1.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate has a molecular weight of 320.35 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate is sourced from PubChem (CID 7993348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).