(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]pyrrolidine-1-carboxamide

C21H27FN4O2 — CID 126436399

IUPAC(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]pyrrolidine-1-carboxamide
SMILESCc1noc(C)c1[C@@H]1CCCN1C(=O)NC1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H27FN4O2/c1-14-20(15(2)28-24-14)19-4-3-11-26(19)21(27)23-17-9-12-25(13-10-17)18-7-5-16(22)6-8-18/h5-8,17,19H,3-4,9-13H2,1-2H3,(H,23,27)/t19-/m0/s1
InChIKeyZHXYLYUFAWGLQS-IBGZPJMESA-N
MW386.47 g/mol
LogP3.95
Rot. Bonds3

About (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]pyrrolidine-1-carboxamide

(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]pyrrolidine-1-carboxamide (PubChem CID 126436399) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]pyrrolidine-1-carboxamide
PubChem CID126436399
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC Name(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]pyrrolidine-1-carboxamide
SMILESCc1noc(C)c1[C@@H]1CCCN1C(=O)NC1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H27FN4O2/c1-14-20(15(2)28-24-14)19-4-3-11-26(19)21(27)23-17-9-12-25(13-10-17)18-7-5-16(22)6-8-18/h5-8,17,19H,3-4,9-13H2,1-2H3,(H,23,27)/t19-/m0/s1
InChIKeyZHXYLYUFAWGLQS-IBGZPJMESA-N
XLogP3.95
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]pyrrolidine-1-carboxamide (CID 126436399) is (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]pyrrolidine-1-carboxamide is Cc1noc(C)c1[C@@H]1CCCN1C(=O)NC1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]pyrrolidine-1-carboxamide?
The InChIKey is ZHXYLYUFAWGLQS-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27FN4O2/c1-14-20(15(2)28-24-14)19-4-3-11-26(19)21(27)23-17-9-12-25(13-10-17)18-7-5-16(22)6-8-18/h5-8,17,19H,3-4,9-13H2,1-2H3,(H,23,27)/t19-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]pyrrolidine-1-carboxamide?
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]pyrrolidine-1-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 126436399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).