6-(1-methylpiperidin-4-yl)-2-oxo-N-(2-phenylmethoxyethyl)-1,3-benzoxazole-3-carboxamide

C23H27N3O4 — CID 155513992

IUPAC6-(1-methylpiperidin-4-yl)-2-oxo-N-(2-phenylmethoxyethyl)-1,3-benzoxazole-3-carboxamide
SMILESCN1CCC(c2ccc3c(c2)oc(=O)n3C(=O)NCCOCc2ccccc2)CC1
InChIInChI=1S/C23H27N3O4/c1-25-12-9-18(10-13-25)19-7-8-20-21(15-19)30-23(28)26(20)22(27)24-11-14-29-16-17-5-3-2-4-6-17/h2-8,15,18H,9-14,16H2,1H3,(H,24,27)
InChIKeyFABAOZGFJUSGCJ-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.18
Rot. Bonds6

About 6-(1-methylpiperidin-4-yl)-2-oxo-N-(2-phenylmethoxyethyl)-1,3-benzoxazole-3-carboxamide

6-(1-methylpiperidin-4-yl)-2-oxo-N-(2-phenylmethoxyethyl)-1,3-benzoxazole-3-carboxamide (PubChem CID 155513992) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 6-(1-methylpiperidin-4-yl)-2-oxo-N-(2-phenylmethoxyethyl)-1,3-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name6-(1-methylpiperidin-4-yl)-2-oxo-N-(2-phenylmethoxyethyl)-1,3-benzoxazole-3-carboxamide
PubChem CID155513992
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name6-(1-methylpiperidin-4-yl)-2-oxo-N-(2-phenylmethoxyethyl)-1,3-benzoxazole-3-carboxamide
SMILESCN1CCC(c2ccc3c(c2)oc(=O)n3C(=O)NCCOCc2ccccc2)CC1
InChIInChI=1S/C23H27N3O4/c1-25-12-9-18(10-13-25)19-7-8-20-21(15-19)30-23(28)26(20)22(27)24-11-14-29-16-17-5-3-2-4-6-17/h2-8,15,18H,9-14,16H2,1H3,(H,24,27)
InChIKeyFABAOZGFJUSGCJ-UHFFFAOYSA-N
XLogP3.18
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpiperidin-4-yl)-2-oxo-N-(2-phenylmethoxyethyl)-1,3-benzoxazole-3-carboxamide?
The IUPAC name of 6-(1-methylpiperidin-4-yl)-2-oxo-N-(2-phenylmethoxyethyl)-1,3-benzoxazole-3-carboxamide (CID 155513992) is 6-(1-methylpiperidin-4-yl)-2-oxo-N-(2-phenylmethoxyethyl)-1,3-benzoxazole-3-carboxamide.
What is the SMILES notation for 6-(1-methylpiperidin-4-yl)-2-oxo-N-(2-phenylmethoxyethyl)-1,3-benzoxazole-3-carboxamide?
The canonical SMILES for 6-(1-methylpiperidin-4-yl)-2-oxo-N-(2-phenylmethoxyethyl)-1,3-benzoxazole-3-carboxamide is CN1CCC(c2ccc3c(c2)oc(=O)n3C(=O)NCCOCc2ccccc2)CC1.
What is the InChIKey of 6-(1-methylpiperidin-4-yl)-2-oxo-N-(2-phenylmethoxyethyl)-1,3-benzoxazole-3-carboxamide?
The InChIKey is FABAOZGFJUSGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-25-12-9-18(10-13-25)19-7-8-20-21(15-19)30-23(28)26(20)22(27)24-11-14-29-16-17-5-3-2-4-6-17/h2-8,15,18H,9-14,16H2,1H3,(H,24,27).
What are the key properties of 6-(1-methylpiperidin-4-yl)-2-oxo-N-(2-phenylmethoxyethyl)-1,3-benzoxazole-3-carboxamide?
6-(1-methylpiperidin-4-yl)-2-oxo-N-(2-phenylmethoxyethyl)-1,3-benzoxazole-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpiperidin-4-yl)-2-oxo-N-(2-phenylmethoxyethyl)-1,3-benzoxazole-3-carboxamide is sourced from PubChem (CID 155513992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).