2-[1-[2-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]-7-methyl-1,3-benzoxazole

C20H26N4O — CID 126799721

IUPAC2-[1-[2-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]-7-methyl-1,3-benzoxazole
SMILESCCn1cc(CCN2CCC(c3nc4cccc(C)c4o3)CC2)cn1
InChIInChI=1S/C20H26N4O/c1-3-24-14-16(13-21-24)7-10-23-11-8-17(9-12-23)20-22-18-6-4-5-15(2)19(18)25-20/h4-6,13-14,17H,3,7-12H2,1-2H3
InChIKeyGAYLGAVOIKNFRE-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.77
Rot. Bonds5

About 2-[1-[2-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]-7-methyl-1,3-benzoxazole

2-[1-[2-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]-7-methyl-1,3-benzoxazole (PubChem CID 126799721) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-[1-[2-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]-7-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-[1-[2-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]-7-methyl-1,3-benzoxazole
PubChem CID126799721
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name2-[1-[2-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]-7-methyl-1,3-benzoxazole
SMILESCCn1cc(CCN2CCC(c3nc4cccc(C)c4o3)CC2)cn1
InChIInChI=1S/C20H26N4O/c1-3-24-14-16(13-21-24)7-10-23-11-8-17(9-12-23)20-22-18-6-4-5-15(2)19(18)25-20/h4-6,13-14,17H,3,7-12H2,1-2H3
InChIKeyGAYLGAVOIKNFRE-UHFFFAOYSA-N
XLogP3.77
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-phenyl-N-[2-(4-pyridyl)-1,3-benzoxazol-5-yl]propanamide
CID 71662589
N-[3-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 776012
2-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide
CID 24790749
2-butyl-N-[1-(1-methyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
CID 24794231
6-(3-Benzooxazol-2-yl-phenyl)-pyrrolo[3,4-b]pyridine-5,7-dione
CID 649463
3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide
CID 659689
N-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-4-carboxamide
CID 878309
2-Pyridinamine, 3-(2-benzoxazolyl)-5-[3-methyl-1-(1-methyl-4-piperidinyl)-1H-pyrazol-4-yl]-
CID 42599603
2-Indazol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone
CID 70802787
2-phenyl-N-[2-(4-pyridyl)-1,3-benzoxazol-5-yl]propanamide
CID 71662587
(2S)-2-phenyl-N-[2-(4-pyridyl)-1,3-benzoxazol-5-yl]propanamide
CID 71662588
2-(Pyridin-4-yl)-1,3-benzoxazole
CID 16804

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]-7-methyl-1,3-benzoxazole?
The IUPAC name of 2-[1-[2-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]-7-methyl-1,3-benzoxazole (CID 126799721) is 2-[1-[2-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]-7-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-[1-[2-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]-7-methyl-1,3-benzoxazole?
The canonical SMILES for 2-[1-[2-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]-7-methyl-1,3-benzoxazole is CCn1cc(CCN2CCC(c3nc4cccc(C)c4o3)CC2)cn1.
What is the InChIKey of 2-[1-[2-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]-7-methyl-1,3-benzoxazole?
The InChIKey is GAYLGAVOIKNFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-24-14-16(13-21-24)7-10-23-11-8-17(9-12-23)20-22-18-6-4-5-15(2)19(18)25-20/h4-6,13-14,17H,3,7-12H2,1-2H3.
What are the key properties of 2-[1-[2-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]-7-methyl-1,3-benzoxazole?
2-[1-[2-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]-7-methyl-1,3-benzoxazole has a molecular weight of 338.46 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]-7-methyl-1,3-benzoxazole is sourced from PubChem (CID 126799721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).