[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (2R)-oxolane-2-carboxylate

C15H14ClNO4 — CID 41480013

IUPAC[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (2R)-oxolane-2-carboxylate
SMILESO=C(OCc1ncc(-c2ccc(Cl)cc2)o1)[C@H]1CCCO1
InChIInChI=1S/C15H14ClNO4/c16-11-5-3-10(4-6-11)13-8-17-14(21-13)9-20-15(18)12-2-1-7-19-12/h3-6,8,12H,1-2,7,9H2/t12-/m1/s1
InChIKeyWCPSTISHLCYRTJ-GFCCVEGCSA-N
MW307.73 g/mol
LogP3.22
Rot. Bonds4

About [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (2R)-oxolane-2-carboxylate

[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (2R)-oxolane-2-carboxylate (PubChem CID 41480013) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (2R)-oxolane-2-carboxylate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (2R)-oxolane-2-carboxylate
PubChem CID41480013
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (2R)-oxolane-2-carboxylate
SMILESO=C(OCc1ncc(-c2ccc(Cl)cc2)o1)[C@H]1CCCO1
InChIInChI=1S/C15H14ClNO4/c16-11-5-3-10(4-6-11)13-8-17-14(21-13)9-20-15(18)12-2-1-7-19-12/h3-6,8,12H,1-2,7,9H2/t12-/m1/s1
InChIKeyWCPSTISHLCYRTJ-GFCCVEGCSA-N
XLogP3.22
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(2R)-oxolan-2-yl]acetate
CID 95141072
4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzamide
CID 9356011
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride
CID 119632342
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 51304858
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (E)-3-(5-bromofuran-2-yl)prop-2-enoate
CID 30928179
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (E)-3-thiophen-3-ylprop-2-enoate
CID 8568341
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 1H-indole-3-carboxylate
CID 8607373
(2R)-N-[2-(4-chlorophenyl)pyrimidin-5-yl]oxolane-2-carboxamide
CID 95100497
(5-phenyl-1,3-oxazol-2-yl)methyl adamantane-2-carboxylate
CID 8519620
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 43023466
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-hydroxy-2-methyl-3-phenylbutanoate
CID 75424220
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(cycloheptylamino)ethyl]propanamide;dihydrochloride
CID 119620079

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (2R)-oxolane-2-carboxylate?
The IUPAC name of [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (2R)-oxolane-2-carboxylate (CID 41480013) is [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (2R)-oxolane-2-carboxylate.
What is the SMILES notation for [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (2R)-oxolane-2-carboxylate?
The canonical SMILES for [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (2R)-oxolane-2-carboxylate is O=C(OCc1ncc(-c2ccc(Cl)cc2)o1)[C@H]1CCCO1.
What is the InChIKey of [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (2R)-oxolane-2-carboxylate?
The InChIKey is WCPSTISHLCYRTJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H14ClNO4/c16-11-5-3-10(4-6-11)13-8-17-14(21-13)9-20-15(18)12-2-1-7-19-12/h3-6,8,12H,1-2,7,9H2/t12-/m1/s1.
What are the key properties of [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (2R)-oxolane-2-carboxylate?
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (2R)-oxolane-2-carboxylate has a molecular weight of 307.73 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (2R)-oxolane-2-carboxylate is sourced from PubChem (CID 41480013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).