[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-benzyl-5-ethylpyrazol-4-yl)methanone

C25H26N4O2 — CID 78873543

IUPAC[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-benzyl-5-ethylpyrazol-4-yl)methanone
SMILESCCc1c(C(=O)N2CCCC(c3nc4ccccc4o3)C2)cnn1Cc1ccccc1
InChIInChI=1S/C25H26N4O2/c1-2-22-20(15-26-29(22)16-18-9-4-3-5-10-18)25(30)28-14-8-11-19(17-28)24-27-21-12-6-7-13-23(21)31-24/h3-7,9-10,12-13,15,19H,2,8,11,14,16-17H2,1H3
InChIKeyIUUIWEDCFBDLQY-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.65
Rot. Bonds5

About [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-benzyl-5-ethylpyrazol-4-yl)methanone

[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-benzyl-5-ethylpyrazol-4-yl)methanone (PubChem CID 78873543) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-benzyl-5-ethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-benzyl-5-ethylpyrazol-4-yl)methanone
PubChem CID78873543
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-benzyl-5-ethylpyrazol-4-yl)methanone
SMILESCCc1c(C(=O)N2CCCC(c3nc4ccccc4o3)C2)cnn1Cc1ccccc1
InChIInChI=1S/C25H26N4O2/c1-2-22-20(15-26-29(22)16-18-9-4-3-5-10-18)25(30)28-14-8-11-19(17-28)24-27-21-12-6-7-13-23(21)31-24/h3-7,9-10,12-13,15,19H,2,8,11,14,16-17H2,1H3
InChIKeyIUUIWEDCFBDLQY-UHFFFAOYSA-N
XLogP4.65
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

(3R)-1-(1-benzyl-5-ethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610594
[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 38317016
(1-benzyl-5-ethylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 78873214
3-(1,3-benzoxazol-2-yl)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 78886648
(1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 78874147
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-hydroxy-3,4-dimethylphenyl)methanone
CID 87016631
[4-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 86984028
[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 34729954
(1-benzyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119637530
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]methanone
CID 31889424
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 51119873
2-[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 78887521

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-benzyl-5-ethylpyrazol-4-yl)methanone?
The IUPAC name of [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-benzyl-5-ethylpyrazol-4-yl)methanone (CID 78873543) is [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-benzyl-5-ethylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-benzyl-5-ethylpyrazol-4-yl)methanone?
The canonical SMILES for [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-benzyl-5-ethylpyrazol-4-yl)methanone is CCc1c(C(=O)N2CCCC(c3nc4ccccc4o3)C2)cnn1Cc1ccccc1.
What is the InChIKey of [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-benzyl-5-ethylpyrazol-4-yl)methanone?
The InChIKey is IUUIWEDCFBDLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-2-22-20(15-26-29(22)16-18-9-4-3-5-10-18)25(30)28-14-8-11-19(17-28)24-27-21-12-6-7-13-23(21)31-24/h3-7,9-10,12-13,15,19H,2,8,11,14,16-17H2,1H3.
What are the key properties of [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-benzyl-5-ethylpyrazol-4-yl)methanone?
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-benzyl-5-ethylpyrazol-4-yl)methanone has a molecular weight of 414.51 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-benzyl-5-ethylpyrazol-4-yl)methanone is sourced from PubChem (CID 78873543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).