ethyl 2-[4-(2-benzyl-1,3-benzoxazole-5-carbonyl)morpholin-3-yl]acetate

C23H24N2O5 — CID 24791025

IUPACethyl 2-[4-(2-benzyl-1,3-benzoxazole-5-carbonyl)morpholin-3-yl]acetate
SMILESCCOC(=O)CC1COCCN1C(=O)c1ccc2oc(Cc3ccccc3)nc2c1
InChIInChI=1S/C23H24N2O5/c1-2-29-22(26)14-18-15-28-11-10-25(18)23(27)17-8-9-20-19(13-17)24-21(30-20)12-16-6-4-3-5-7-16/h3-9,13,18H,2,10-12,14-15H2,1H3
InChIKeyCFLDSNGOVSNZFJ-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.21
Rot. Bonds6

About ethyl 2-[4-(2-benzyl-1,3-benzoxazole-5-carbonyl)morpholin-3-yl]acetate

ethyl 2-[4-(2-benzyl-1,3-benzoxazole-5-carbonyl)morpholin-3-yl]acetate (PubChem CID 24791025) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is ethyl 2-[4-(2-benzyl-1,3-benzoxazole-5-carbonyl)morpholin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(2-benzyl-1,3-benzoxazole-5-carbonyl)morpholin-3-yl]acetate
PubChem CID24791025
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Nameethyl 2-[4-(2-benzyl-1,3-benzoxazole-5-carbonyl)morpholin-3-yl]acetate
SMILESCCOC(=O)CC1COCCN1C(=O)c1ccc2oc(Cc3ccccc3)nc2c1
InChIInChI=1S/C23H24N2O5/c1-2-29-22(26)14-18-15-28-11-10-25(18)23(27)17-8-9-20-19(13-17)24-21(30-20)12-16-6-4-3-5-7-16/h3-9,13,18H,2,10-12,14-15H2,1H3
InChIKeyCFLDSNGOVSNZFJ-UHFFFAOYSA-N
XLogP3.21
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-benzyl-1,3-benzoxazole-5-carbonyl)morpholin-3-yl]acetate?
The IUPAC name of ethyl 2-[4-(2-benzyl-1,3-benzoxazole-5-carbonyl)morpholin-3-yl]acetate (CID 24791025) is ethyl 2-[4-(2-benzyl-1,3-benzoxazole-5-carbonyl)morpholin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(2-benzyl-1,3-benzoxazole-5-carbonyl)morpholin-3-yl]acetate?
The canonical SMILES for ethyl 2-[4-(2-benzyl-1,3-benzoxazole-5-carbonyl)morpholin-3-yl]acetate is CCOC(=O)CC1COCCN1C(=O)c1ccc2oc(Cc3ccccc3)nc2c1.
What is the InChIKey of ethyl 2-[4-(2-benzyl-1,3-benzoxazole-5-carbonyl)morpholin-3-yl]acetate?
The InChIKey is CFLDSNGOVSNZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-2-29-22(26)14-18-15-28-11-10-25(18)23(27)17-8-9-20-19(13-17)24-21(30-20)12-16-6-4-3-5-7-16/h3-9,13,18H,2,10-12,14-15H2,1H3.
What are the key properties of ethyl 2-[4-(2-benzyl-1,3-benzoxazole-5-carbonyl)morpholin-3-yl]acetate?
ethyl 2-[4-(2-benzyl-1,3-benzoxazole-5-carbonyl)morpholin-3-yl]acetate has a molecular weight of 408.45 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-benzyl-1,3-benzoxazole-5-carbonyl)morpholin-3-yl]acetate is sourced from PubChem (CID 24791025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).