N-[1-(4-methylphenyl)pyrazol-3-yl]-4-(2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxamide

C23H23N5O3 — CID 11362069

IUPACN-[1-(4-methylphenyl)pyrazol-3-yl]-4-(2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxamide
SMILESCc1ccc(-n2ccc(NC(=O)N3CCC(n4c(=O)oc5ccccc54)CC3)n2)cc1
InChIInChI=1S/C23H23N5O3/c1-16-6-8-17(9-7-16)27-15-12-21(25-27)24-22(29)26-13-10-18(11-14-26)28-19-4-2-3-5-20(19)31-23(28)30/h2-9,12,15,18H,10-11,13-14H2,1H3,(H,24,25,29)
InChIKeyXZIRSTPUTNPXFC-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.96
Rot. Bonds3

About N-[1-(4-methylphenyl)pyrazol-3-yl]-4-(2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxamide

N-[1-(4-methylphenyl)pyrazol-3-yl]-4-(2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxamide (PubChem CID 11362069) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)pyrazol-3-yl]-4-(2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)pyrazol-3-yl]-4-(2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxamide
PubChem CID11362069
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC NameN-[1-(4-methylphenyl)pyrazol-3-yl]-4-(2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxamide
SMILESCc1ccc(-n2ccc(NC(=O)N3CCC(n4c(=O)oc5ccccc54)CC3)n2)cc1
InChIInChI=1S/C23H23N5O3/c1-16-6-8-17(9-7-16)27-15-12-21(25-27)24-22(29)26-13-10-18(11-14-26)28-19-4-2-3-5-20(19)31-23(28)30/h2-9,12,15,18H,10-11,13-14H2,1H3,(H,24,25,29)
InChIKeyXZIRSTPUTNPXFC-UHFFFAOYSA-N
XLogP3.96
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)pyrazol-3-yl]-4-(2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(4-methylphenyl)pyrazol-3-yl]-4-(2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxamide (CID 11362069) is N-[1-(4-methylphenyl)pyrazol-3-yl]-4-(2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)pyrazol-3-yl]-4-(2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)pyrazol-3-yl]-4-(2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxamide is Cc1ccc(-n2ccc(NC(=O)N3CCC(n4c(=O)oc5ccccc54)CC3)n2)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)pyrazol-3-yl]-4-(2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxamide?
The InChIKey is XZIRSTPUTNPXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-16-6-8-17(9-7-16)27-15-12-21(25-27)24-22(29)26-13-10-18(11-14-26)28-19-4-2-3-5-20(19)31-23(28)30/h2-9,12,15,18H,10-11,13-14H2,1H3,(H,24,25,29).
What are the key properties of N-[1-(4-methylphenyl)pyrazol-3-yl]-4-(2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxamide?
N-[1-(4-methylphenyl)pyrazol-3-yl]-4-(2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)pyrazol-3-yl]-4-(2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 11362069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).