3-(3-methoxyphenyl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-5-carboxamide

C25H25N5O5 — CID 167918124

IUPAC3-(3-methoxyphenyl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc4oc(=O)n(CC(=O)N5CCCCC5)c4c3)[nH]n2)c1
InChIInChI=1S/C25H25N5O5/c1-34-18-7-5-6-16(12-18)19-14-20(28-27-19)24(32)26-17-8-9-22-21(13-17)30(25(33)35-22)15-23(31)29-10-3-2-4-11-29/h5-9,12-14H,2-4,10-11,15H2,1H3,(H,26,32)(H,27,28)
InChIKeyAUKLJQBFVMFUOE-UHFFFAOYSA-N
MW475.51 g/mol
LogP3.26
Rot. Bonds6

About 3-(3-methoxyphenyl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-5-carboxamide

3-(3-methoxyphenyl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-5-carboxamide (PubChem CID 167918124) has the molecular formula C25H25N5O5 and a molecular weight of 475.51 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-5-carboxamide
PubChem CID167918124
Molecular FormulaC25H25N5O5
Molecular Weight475.51 g/mol
Exact Mass475.19
IUPAC Name3-(3-methoxyphenyl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc4oc(=O)n(CC(=O)N5CCCCC5)c4c3)[nH]n2)c1
InChIInChI=1S/C25H25N5O5/c1-34-18-7-5-6-16(12-18)19-14-20(28-27-19)24(32)26-17-8-9-22-21(13-17)30(25(33)35-22)15-23(31)29-10-3-2-4-11-29/h5-9,12-14H,2-4,10-11,15H2,1H3,(H,26,32)(H,27,28)
InChIKeyAUKLJQBFVMFUOE-UHFFFAOYSA-N
XLogP3.26
TPSA122.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-5-carboxamide (CID 167918124) is 3-(3-methoxyphenyl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)Nc3ccc4oc(=O)n(CC(=O)N5CCCCC5)c4c3)[nH]n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is AUKLJQBFVMFUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O5/c1-34-18-7-5-6-16(12-18)19-14-20(28-27-19)24(32)26-17-8-9-22-21(13-17)30(25(33)35-22)15-23(31)29-10-3-2-4-11-29/h5-9,12-14H,2-4,10-11,15H2,1H3,(H,26,32)(H,27,28).
What are the key properties of 3-(3-methoxyphenyl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-5-carboxamide?
3-(3-methoxyphenyl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 475.51 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 167918124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).