[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone

C22H26N4O3 — CID 56738996

IUPAC[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
SMILESCOc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3cc(C(C)C)no3)CC2)c1
InChIInChI=1S/C22H26N4O3/c1-14(2)19-12-20(29-25-19)22(27)26-9-7-15(8-10-26)21-18(13-23-24-21)16-5-4-6-17(11-16)28-3/h4-6,11-15H,7-10H2,1-3H3,(H,23,24)
InChIKeyCFULUYUHKPZAKQ-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.22
Rot. Bonds5

About [4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone

[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone (PubChem CID 56738996) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is [4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
PubChem CID56738996
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
SMILESCOc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3cc(C(C)C)no3)CC2)c1
InChIInChI=1S/C22H26N4O3/c1-14(2)19-12-20(29-25-19)22(27)26-9-7-15(8-10-26)21-18(13-23-24-21)16-5-4-6-17(11-16)28-3/h4-6,11-15H,7-10H2,1-3H3,(H,23,24)
InChIKeyCFULUYUHKPZAKQ-UHFFFAOYSA-N
XLogP4.22
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(aminomethyl)phenyl]-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone;hydrochloride
CID 154895013
(3-fluoro-4-pyridinyl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56748447
[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 70785248
(1-ethylpyrazol-4-yl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 70737159
N-[4-[[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 42479585
[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 75464002
(2,6-dihydroxyphenyl)-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56752335
(4-aminopiperidin-1-yl)-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 139023916
(2S)-2-hydroxy-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95197316
[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 50809265
[3-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(9-methylcarbazol-3-yl)methanone
CID 45179608
4-(methoxymethyl)-6-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidine
CID 56749521

Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone (CID 56738996) is [4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone is COc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3cc(C(C)C)no3)CC2)c1.
What is the InChIKey of [4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
The InChIKey is CFULUYUHKPZAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-14(2)19-12-20(29-25-19)22(27)26-9-7-15(8-10-26)21-18(13-23-24-21)16-5-4-6-17(11-16)28-3/h4-6,11-15H,7-10H2,1-3H3,(H,23,24).
What are the key properties of [4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone has a molecular weight of 394.48 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 56738996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).