[2-(2-methoxyethyl)-1,3-benzoxazol-6-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone

C21H26N4O3 — CID 72877787

IUPAC[2-(2-methoxyethyl)-1,3-benzoxazol-6-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
SMILESCOCCc1nc2ccc(C(=O)N3CCC(CCn4cccn4)CC3)cc2o1
InChIInChI=1S/C21H26N4O3/c1-27-14-8-20-23-18-4-3-17(15-19(18)28-20)21(26)24-11-5-16(6-12-24)7-13-25-10-2-9-22-25/h2-4,9-10,15-16H,5-8,11-14H2,1H3
InChIKeyDICZDTAZKPAVNB-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.16
Rot. Bonds7

About [2-(2-methoxyethyl)-1,3-benzoxazol-6-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone

[2-(2-methoxyethyl)-1,3-benzoxazol-6-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone (PubChem CID 72877787) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is [2-(2-methoxyethyl)-1,3-benzoxazol-6-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-methoxyethyl)-1,3-benzoxazol-6-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
PubChem CID72877787
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name[2-(2-methoxyethyl)-1,3-benzoxazol-6-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
SMILESCOCCc1nc2ccc(C(=O)N3CCC(CCn4cccn4)CC3)cc2o1
InChIInChI=1S/C21H26N4O3/c1-27-14-8-20-23-18-4-3-17(15-19(18)28-20)21(26)24-11-5-16(6-12-24)7-13-25-10-2-9-22-25/h2-4,9-10,15-16H,5-8,11-14H2,1H3
InChIKeyDICZDTAZKPAVNB-UHFFFAOYSA-N
XLogP3.16
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(2-methoxyethyl)-1,3-benzoxazol-6-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(4-hydroxy-3-methoxyphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 56721440
[3-(furan-2-yl)phenyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70755983
[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone
CID 70779716
[3-(methoxymethyl)pyrrolidin-1-yl]-[2-(2-phenylethyl)-1,3-benzoxazol-5-yl]methanone
CID 45226885
[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-6-yl]methanone
CID 25491297
[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 72872499
(2-phenylphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70788820
(4-methylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70758865
7-[1-oxo-1-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-2-yl]oxychromen-2-one
CID 171911417
N-[(4R)-2,2-dimethyloxan-4-yl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide
CID 42094986
2-(2-methoxyethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-carboxamide
CID 72837156
(4-methylphenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494869

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethyl)-1,3-benzoxazol-6-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(2-methoxyethyl)-1,3-benzoxazol-6-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone (CID 72877787) is [2-(2-methoxyethyl)-1,3-benzoxazol-6-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(2-methoxyethyl)-1,3-benzoxazol-6-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(2-methoxyethyl)-1,3-benzoxazol-6-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone is COCCc1nc2ccc(C(=O)N3CCC(CCn4cccn4)CC3)cc2o1.
What is the InChIKey of [2-(2-methoxyethyl)-1,3-benzoxazol-6-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The InChIKey is DICZDTAZKPAVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-27-14-8-20-23-18-4-3-17(15-19(18)28-20)21(26)24-11-5-16(6-12-24)7-13-25-10-2-9-22-25/h2-4,9-10,15-16H,5-8,11-14H2,1H3.
What are the key properties of [2-(2-methoxyethyl)-1,3-benzoxazol-6-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
[2-(2-methoxyethyl)-1,3-benzoxazol-6-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone has a molecular weight of 382.46 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethyl)-1,3-benzoxazol-6-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 72877787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).