[5-[5-[difluoro(phosphanyl)methyl]-4-methyl-1,2-oxazol-3-yl]thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone

C15H17F2N2O3PS — CID 139376122

IUPAC[5-[5-[difluoro(phosphanyl)methyl]-4-methyl-1,2-oxazol-3-yl]thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCc1c(-c2ccc(C(=O)N3CCC(O)CC3)s2)noc1C(F)(F)P
InChIInChI=1S/C15H17F2N2O3PS/c1-8-12(18-22-13(8)15(16,17)23)10-2-3-11(24-10)14(21)19-6-4-9(20)5-7-19/h2-3,9,20H,4-7,23H2,1H3
InChIKeyYBYPEIFWTYDGEO-UHFFFAOYSA-N
MW374.35 g/mol
LogP3.23
Rot. Bonds3

About [5-[5-[difluoro(phosphanyl)methyl]-4-methyl-1,2-oxazol-3-yl]thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone

[5-[5-[difluoro(phosphanyl)methyl]-4-methyl-1,2-oxazol-3-yl]thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 139376122) has the molecular formula C15H17F2N2O3PS and a molecular weight of 374.35 g/mol. Its IUPAC name is [5-[5-[difluoro(phosphanyl)methyl]-4-methyl-1,2-oxazol-3-yl]thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[5-[difluoro(phosphanyl)methyl]-4-methyl-1,2-oxazol-3-yl]thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID139376122
Molecular FormulaC15H17F2N2O3PS
Molecular Weight374.35 g/mol
Exact Mass374.07
IUPAC Name[5-[5-[difluoro(phosphanyl)methyl]-4-methyl-1,2-oxazol-3-yl]thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCc1c(-c2ccc(C(=O)N3CCC(O)CC3)s2)noc1C(F)(F)P
InChIInChI=1S/C15H17F2N2O3PS/c1-8-12(18-22-13(8)15(16,17)23)10-2-3-11(24-10)14(21)19-6-4-9(20)5-7-19/h2-3,9,20H,4-7,23H2,1H3
InChIKeyYBYPEIFWTYDGEO-UHFFFAOYSA-N
XLogP3.23
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(4-iodopiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
CID 118974602
(4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
CID 25211191
[(3R)-3-methylpyrrolidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
CID 153168210
[(3R)-3-aminopyrrolidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;hydrochloride
CID 141232521
[4-(1,1-difluoroethyl)-4-hydroxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
CID 70570735
[(3S)-3-methylpiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
CID 70274257
[3-(1,1-difluoroethyl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
CID 70571809
3,6-dihydro-2H-pyridin-1-yl-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
CID 25212112
[(3R)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
CID 70570754
1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-one
CID 143770956
(3S)-N-methyl-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;(3R)-N-methyl-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide
CID 158684490
[(3R)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]methanesulfonamide
CID 140785425

Frequently Asked Questions

What is the IUPAC name of [5-[5-[difluoro(phosphanyl)methyl]-4-methyl-1,2-oxazol-3-yl]thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [5-[5-[difluoro(phosphanyl)methyl]-4-methyl-1,2-oxazol-3-yl]thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone (CID 139376122) is [5-[5-[difluoro(phosphanyl)methyl]-4-methyl-1,2-oxazol-3-yl]thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [5-[5-[difluoro(phosphanyl)methyl]-4-methyl-1,2-oxazol-3-yl]thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [5-[5-[difluoro(phosphanyl)methyl]-4-methyl-1,2-oxazol-3-yl]thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone is Cc1c(-c2ccc(C(=O)N3CCC(O)CC3)s2)noc1C(F)(F)P.
What is the InChIKey of [5-[5-[difluoro(phosphanyl)methyl]-4-methyl-1,2-oxazol-3-yl]thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is YBYPEIFWTYDGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N2O3PS/c1-8-12(18-22-13(8)15(16,17)23)10-2-3-11(24-10)14(21)19-6-4-9(20)5-7-19/h2-3,9,20H,4-7,23H2,1H3.
What are the key properties of [5-[5-[difluoro(phosphanyl)methyl]-4-methyl-1,2-oxazol-3-yl]thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone?
[5-[5-[difluoro(phosphanyl)methyl]-4-methyl-1,2-oxazol-3-yl]thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 374.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-[difluoro(phosphanyl)methyl]-4-methyl-1,2-oxazol-3-yl]thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 139376122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).