N-(4-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide

C21H25FN4O3 — CID 71837590

IUPACN-(4-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCc1oc(C2CCN(C(=O)Nc3ccc(F)cc3)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C21H25FN4O3/c1-14-18(20(27)25-10-2-3-11-25)24-19(29-14)15-8-12-26(13-9-15)21(28)23-17-6-4-16(22)5-7-17/h4-7,15H,2-3,8-13H2,1H3,(H,23,28)
InChIKeyGMFJUICWSBRDRD-UHFFFAOYSA-N
MW400.45 g/mol
LogP3.77
Rot. Bonds3

About N-(4-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide

N-(4-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide (PubChem CID 71837590) has the molecular formula C21H25FN4O3 and a molecular weight of 400.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
PubChem CID71837590
Molecular FormulaC21H25FN4O3
Molecular Weight400.45 g/mol
Exact Mass400.19
IUPAC NameN-(4-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCc1oc(C2CCN(C(=O)Nc3ccc(F)cc3)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C21H25FN4O3/c1-14-18(20(27)25-10-2-3-11-25)24-19(29-14)15-8-12-26(13-9-15)21(28)23-17-6-4-16(22)5-7-17/h4-7,15H,2-3,8-13H2,1H3,(H,23,28)
InChIKeyGMFJUICWSBRDRD-UHFFFAOYSA-N
XLogP3.77
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 53168491
(2,5-difluorophenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837787
N-(2,4-dimethylphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 71837584
(2-chloro-5-fluorophenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 53168372
N-(2-chloro-4-methylphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 71837596
(4-methylphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837767
(3,5-dimethylphenyl)-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837745
(2,4-dimethylphenyl)-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837736
(2,5-difluorophenyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837682
(2-chloro-5-fluorophenyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 53168417
2-cyclopentyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 71837810
2-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
CID 71837657

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide (CID 71837590) is N-(4-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide is Cc1oc(C2CCN(C(=O)Nc3ccc(F)cc3)CC2)nc1C(=O)N1CCCC1.
What is the InChIKey of N-(4-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The InChIKey is GMFJUICWSBRDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O3/c1-14-18(20(27)25-10-2-3-11-25)24-19(29-14)15-8-12-26(13-9-15)21(28)23-17-6-4-16(22)5-7-17/h4-7,15H,2-3,8-13H2,1H3,(H,23,28).
What are the key properties of N-(4-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
N-(4-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide has a molecular weight of 400.45 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71837590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).