4-methoxy-N-[2-[1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide

C23H27N5O4 — CID 24790706

IUPAC4-methoxy-N-[2-[1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCCCc1cc(C(=O)N2CCC(n3nccc3NC(=O)c3ccc(OC)cc3)CC2)no1
InChIInChI=1S/C23H27N5O4/c1-3-4-19-15-20(26-32-19)23(30)27-13-10-17(11-14-27)28-21(9-12-24-28)25-22(29)16-5-7-18(31-2)8-6-16/h5-9,12,15,17H,3-4,10-11,13-14H2,1-2H3,(H,25,29)
InChIKeyBIAMTCSZTSZJKN-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.56
Rot. Bonds7

About 4-methoxy-N-[2-[1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide

4-methoxy-N-[2-[1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24790706) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 4-methoxy-N-[2-[1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24790706
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name4-methoxy-N-[2-[1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCCCc1cc(C(=O)N2CCC(n3nccc3NC(=O)c3ccc(OC)cc3)CC2)no1
InChIInChI=1S/C23H27N5O4/c1-3-4-19-15-20(26-32-19)23(30)27-13-10-17(11-14-27)28-21(9-12-24-28)25-22(29)16-5-7-18(31-2)8-6-16/h5-9,12,15,17H,3-4,10-11,13-14H2,1-2H3,(H,25,29)
InChIKeyBIAMTCSZTSZJKN-UHFFFAOYSA-N
XLogP3.56
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24790706) is 4-methoxy-N-[2-[1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide is CCCc1cc(C(=O)N2CCC(n3nccc3NC(=O)c3ccc(OC)cc3)CC2)no1.
What is the InChIKey of 4-methoxy-N-[2-[1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is BIAMTCSZTSZJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-3-4-19-15-20(26-32-19)23(30)27-13-10-17(11-14-27)28-21(9-12-24-28)25-22(29)16-5-7-18(31-2)8-6-16/h5-9,12,15,17H,3-4,10-11,13-14H2,1-2H3,(H,25,29).
What are the key properties of 4-methoxy-N-[2-[1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
4-methoxy-N-[2-[1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 437.50 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24790706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).