(4-phenylmethoxypiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone

C21H21N3O3 — CID 47044991

IUPAC(4-phenylmethoxypiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2cccnc2)on1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C21H21N3O3/c25-21(19-13-20(27-23-19)17-7-4-10-22-14-17)24-11-8-18(9-12-24)26-15-16-5-2-1-3-6-16/h1-7,10,13-14,18H,8-9,11-12,15H2
InChIKeyHVRIANVGNDHRKU-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.56
Rot. Bonds5

About (4-phenylmethoxypiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone

(4-phenylmethoxypiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone (PubChem CID 47044991) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is (4-phenylmethoxypiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(4-phenylmethoxypiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
PubChem CID47044991
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name(4-phenylmethoxypiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2cccnc2)on1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C21H21N3O3/c25-21(19-13-20(27-23-19)17-7-4-10-22-14-17)24-11-8-18(9-12-24)26-15-16-5-2-1-3-6-16/h1-7,10,13-14,18H,8-9,11-12,15H2
InChIKeyHVRIANVGNDHRKU-UHFFFAOYSA-N
XLogP3.56
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ML381
CID 42519285
N-[(3S,4S)-1-cyclohexyl-3-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141678041
5-phenyl-N-(2-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973877
5-phenyl-N-(3-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973868
5-(2-methoxyphenyl)-N-pyridin-3-ylisoxazole-3-carboxamide
CID 3236616
Dafadine-A
CID 24790866
N-[(3S,4S)-1-cyclohexyl-3-(pyridin-2-ylmethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141677967
N-[(3R,4R)-1-cyclohexyl-3-[[(1R)-1-pyridin-2-ylethyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141677971
N-[(3S,4S)-1-cyclohexyl-3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141677978
N-[(3S,4S)-1-cyclohexyl-3-(2-pyridin-2-ylethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141678009
N-[(3S,4S)-1-cyclohexyl-3-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141678115
N-[(3R,4R)-1-cyclohexyl-3-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141678130

Frequently Asked Questions

What is the IUPAC name of (4-phenylmethoxypiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of (4-phenylmethoxypiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone (CID 47044991) is (4-phenylmethoxypiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (4-phenylmethoxypiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for (4-phenylmethoxypiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone is O=C(c1cc(-c2cccnc2)on1)N1CCC(OCc2ccccc2)CC1.
What is the InChIKey of (4-phenylmethoxypiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is HVRIANVGNDHRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-21(19-13-20(27-23-19)17-7-4-10-22-14-17)24-11-8-18(9-12-24)26-15-16-5-2-1-3-6-16/h1-7,10,13-14,18H,8-9,11-12,15H2.
What are the key properties of (4-phenylmethoxypiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone?
(4-phenylmethoxypiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 363.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylmethoxypiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 47044991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).