(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(2R)-oxolan-2-yl]acetate

C16H17NO4 — CID 95141072

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(2R)-oxolan-2-yl]acetate
SMILESO=C(C[C@H]1CCCO1)OCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C16H17NO4/c18-16(9-13-7-4-8-19-13)20-11-15-17-10-14(21-15)12-5-2-1-3-6-12/h1-3,5-6,10,13H,4,7-9,11H2/t13-/m1/s1
InChIKeyRXQWPVNSMCFBSY-CYBMUJFWSA-N
MW287.31 g/mol
LogP2.95
Rot. Bonds5

About (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(2R)-oxolan-2-yl]acetate

(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(2R)-oxolan-2-yl]acetate (PubChem CID 95141072) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(2R)-oxolan-2-yl]acetate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(2R)-oxolan-2-yl]acetate
PubChem CID95141072
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(2R)-oxolan-2-yl]acetate
SMILESO=C(C[C@H]1CCCO1)OCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C16H17NO4/c18-16(9-13-7-4-8-19-13)20-11-15-17-10-14(21-15)12-5-2-1-3-6-12/h1-3,5-6,10,13H,4,7-9,11H2/t13-/m1/s1
InChIKeyRXQWPVNSMCFBSY-CYBMUJFWSA-N
XLogP2.95
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-phenyl-1,3-oxazol-2-yl)methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 46792309
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11932885
N-[[(2S)-oxolan-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30822933
2-(oxolan-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide
CID 71969884
(5-phenyl-1,3-oxazol-2-yl)methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoate
CID 7892528
(5-phenyl-1,3-oxazol-2-yl)methyl 3-hydroxybenzoate
CID 7790163
N-methyl-1-(oxan-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
CID 86825192
N-(oxolan-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 112823627
(5-phenyl-1,3-oxazol-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 46660959
(5-phenyl-1,3-oxazol-2-yl)methyl 4-piperidin-1-ylsulfonylbenzoate
CID 4559248
(5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-phenylbutanoate
CID 9467187
2-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 119247740

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(2R)-oxolan-2-yl]acetate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(2R)-oxolan-2-yl]acetate (CID 95141072) is (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(2R)-oxolan-2-yl]acetate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(2R)-oxolan-2-yl]acetate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(2R)-oxolan-2-yl]acetate is O=C(C[C@H]1CCCO1)OCc1ncc(-c2ccccc2)o1.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(2R)-oxolan-2-yl]acetate?
The InChIKey is RXQWPVNSMCFBSY-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17NO4/c18-16(9-13-7-4-8-19-13)20-11-15-17-10-14(21-15)12-5-2-1-3-6-12/h1-3,5-6,10,13H,4,7-9,11H2/t13-/m1/s1.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(2R)-oxolan-2-yl]acetate?
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(2R)-oxolan-2-yl]acetate has a molecular weight of 287.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(2R)-oxolan-2-yl]acetate is sourced from PubChem (CID 95141072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).