4-oxo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide

C23H25N5O5 — CID 167944355

IUPAC4-oxo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide
SMILESO=C(Nc1ccc2oc(=O)n(CC(=O)N3CCCCC3)c2c1)c1cc2n(n1)CCCCC2=O
InChIInChI=1S/C23H25N5O5/c29-19-6-2-5-11-28-17(19)13-16(25-28)22(31)24-15-7-8-20-18(12-15)27(23(32)33-20)14-21(30)26-9-3-1-4-10-26/h7-8,12-13H,1-6,9-11,14H2,(H,24,31)
InChIKeyJCJHVXCJQFXXIL-UHFFFAOYSA-N
MW451.48 g/mol
LogP2.42
Rot. Bonds4

About 4-oxo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide

4-oxo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide (PubChem CID 167944355) has the molecular formula C23H25N5O5 and a molecular weight of 451.48 g/mol. Its IUPAC name is 4-oxo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide
PubChem CID167944355
Molecular FormulaC23H25N5O5
Molecular Weight451.48 g/mol
Exact Mass451.19
IUPAC Name4-oxo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide
SMILESO=C(Nc1ccc2oc(=O)n(CC(=O)N3CCCCC3)c2c1)c1cc2n(n1)CCCCC2=O
InChIInChI=1S/C23H25N5O5/c29-19-6-2-5-11-28-17(19)13-16(25-28)22(31)24-15-7-8-20-18(12-15)27(23(32)33-20)14-21(30)26-9-3-1-4-10-26/h7-8,12-13H,1-6,9-11,14H2,(H,24,31)
InChIKeyJCJHVXCJQFXXIL-UHFFFAOYSA-N
XLogP2.42
TPSA119.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-oxo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide with MolForge

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Related Compounds

4-amino-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 167925866
N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 167789866
1-amino-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]cyclobutane-1-carboxamide
CID 167968453
N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]prop-2-enamide
CID 166406072
5-(furan-2-yl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-3-carboxamide
CID 167936040
N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
CID 167981360
2-bromo-4-methoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]benzamide
CID 167749710
6-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]quinazoline-4-carboxamide
CID 167826598
3,5-dimethoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1,2-thiazole-4-carboxamide
CID 167919342
4-bromo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 167786688
6-methoxy-4-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-indole-2-carboxamide
CID 167772413
5-bromo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4-phenyl-1H-pyrazole-3-carboxamide
CID 167936087

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide?
The IUPAC name of 4-oxo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide (CID 167944355) is 4-oxo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide.
What is the SMILES notation for 4-oxo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide?
The canonical SMILES for 4-oxo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide is O=C(Nc1ccc2oc(=O)n(CC(=O)N3CCCCC3)c2c1)c1cc2n(n1)CCCCC2=O.
What is the InChIKey of 4-oxo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide?
The InChIKey is JCJHVXCJQFXXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O5/c29-19-6-2-5-11-28-17(19)13-16(25-28)22(31)24-15-7-8-20-18(12-15)27(23(32)33-20)14-21(30)26-9-3-1-4-10-26/h7-8,12-13H,1-6,9-11,14H2,(H,24,31).
What are the key properties of 4-oxo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide?
4-oxo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide has a molecular weight of 451.48 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide is sourced from PubChem (CID 167944355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).