[(2S)-2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone

C20H22N4O2 — CID 164629782

IUPAC[(2S)-2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone
SMILESCn1nc(C(=O)N2CCCC[C@H]2c2nc3ccccc3o2)cc1C1CC1
InChIInChI=1S/C20H22N4O2/c1-23-17(13-9-10-13)12-15(22-23)20(25)24-11-5-4-7-16(24)19-21-14-6-2-3-8-18(14)26-19/h2-3,6,8,12-13,16H,4-5,7,9-11H2,1H3/t16-/m0/s1
InChIKeyDLLOYWFRGKVEFZ-INIZCTEOSA-N
MW350.42 g/mol
LogP3.81
Rot. Bonds3

About [(2S)-2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone

[(2S)-2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone (PubChem CID 164629782) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is [(2S)-2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone
PubChem CID164629782
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name[(2S)-2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone
SMILESCn1nc(C(=O)N2CCCC[C@H]2c2nc3ccccc3o2)cc1C1CC1
InChIInChI=1S/C20H22N4O2/c1-23-17(13-9-10-13)12-15(22-23)20(25)24-11-5-4-7-16(24)19-21-14-6-2-3-8-18(14)26-19/h2-3,6,8,12-13,16H,4-5,7,9-11H2,1H3/t16-/m0/s1
InChIKeyDLLOYWFRGKVEFZ-INIZCTEOSA-N
XLogP3.81
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 139007285
[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4-chloro-2-fluorophenyl)methanone
CID 71849215
[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
CID 127483479
1-[2-[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 71849209
1-[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethane-1,2-dione
CID 71849214
[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 95110711
(5-cyclopropyl-1-methylpyrazol-3-yl)-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164695344
(5-cyclopropyl-1-methylpyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737538
(3,5-dimethoxyphenyl)-[(2R)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone
CID 93015259
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 37000073
(5-cyclopropyl-1-methylpyrazol-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731863
(1,5-dimethylpyrazol-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95762416

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone?
The IUPAC name of [(2S)-2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone (CID 164629782) is [(2S)-2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [(2S)-2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [(2S)-2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone is Cn1nc(C(=O)N2CCCC[C@H]2c2nc3ccccc3o2)cc1C1CC1.
What is the InChIKey of [(2S)-2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone?
The InChIKey is DLLOYWFRGKVEFZ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-23-17(13-9-10-13)12-15(22-23)20(25)24-11-5-4-7-16(24)19-21-14-6-2-3-8-18(14)26-19/h2-3,6,8,12-13,16H,4-5,7,9-11H2,1H3/t16-/m0/s1.
What are the key properties of [(2S)-2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone?
[(2S)-2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone has a molecular weight of 350.42 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 164629782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).