(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate

C19H18N2O5S — CID 51966261

IUPAC(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate
SMILESCc1oc(-c2cccs2)nc1COC(=O)[C@@H](CO)NC(=O)c1ccccc1
InChIInChI=1S/C19H18N2O5S/c1-12-15(21-18(26-12)16-8-5-9-27-16)11-25-19(24)14(10-22)20-17(23)13-6-3-2-4-7-13/h2-9,14,22H,10-11H2,1H3,(H,20,23)/t14-/m1/s1
InChIKeyDKRAQFAPLFSUGV-CQSZACIVSA-N
MW386.43 g/mol
LogP2.55
Rot. Bonds7

About (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate

(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate (PubChem CID 51966261) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate.

Molecular Properties

Compound Name(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate
PubChem CID51966261
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC Name(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate
SMILESCc1oc(-c2cccs2)nc1COC(=O)[C@@H](CO)NC(=O)c1ccccc1
InChIInChI=1S/C19H18N2O5S/c1-12-15(21-18(26-12)16-8-5-9-27-16)11-25-19(24)14(10-22)20-17(23)13-6-3-2-4-7-13/h2-9,14,22H,10-11H2,1H3,(H,20,23)/t14-/m1/s1
InChIKeyDKRAQFAPLFSUGV-CQSZACIVSA-N
XLogP2.55
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate with MolForge

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Related Compounds

(3-methylquinoxalin-2-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate
CID 51966253
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(methylamino)benzoate
CID 24651519
benzyl 2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]acetate
CID 31046909
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoate
CID 55941573
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (E)-pent-2-enoate
CID 55517849
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3,4-difluorobenzoate
CID 24618782
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(thiophene-2-carbonyl)benzoate
CID 18145180
N-(2-aminoethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 119384938
(2-oxo-1,2-diphenylethyl) 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
CID 55515562
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate
CID 51929996
methyl 2-methyl-3-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]propanoate
CID 60965751
N-(2-methyl-1-phenylpropyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 24627992

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate?
The IUPAC name of (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate (CID 51966261) is (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate.
What is the SMILES notation for (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate?
The canonical SMILES for (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate is Cc1oc(-c2cccs2)nc1COC(=O)[C@@H](CO)NC(=O)c1ccccc1.
What is the InChIKey of (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate?
The InChIKey is DKRAQFAPLFSUGV-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-12-15(21-18(26-12)16-8-5-9-27-16)11-25-19(24)14(10-22)20-17(23)13-6-3-2-4-7-13/h2-9,14,22H,10-11H2,1H3,(H,20,23)/t14-/m1/s1.
What are the key properties of (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate?
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate has a molecular weight of 386.43 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate is sourced from PubChem (CID 51966261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).