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

C21H25FN4O3 — CID 71837579

IUPACN-(2-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCc1oc(C2CCN(C(=O)Nc3ccccc3F)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C21H25FN4O3/c1-14-18(20(27)25-10-4-5-11-25)24-19(29-14)15-8-12-26(13-9-15)21(28)23-17-7-3-2-6-16(17)22/h2-3,6-7,15H,4-5,8-13H2,1H3,(H,23,28)
InChIKeyOBAVYARRMMSCTK-UHFFFAOYSA-N
MW400.45 g/mol
LogP3.77
Rot. Bonds3

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

N-(2-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide (PubChem CID 71837579) has the molecular formula C21H25FN4O3 and a molecular weight of 400.45 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
PubChem CID71837579
Molecular FormulaC21H25FN4O3
Molecular Weight400.45 g/mol
Exact Mass400.19
IUPAC NameN-(2-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCc1oc(C2CCN(C(=O)Nc3ccccc3F)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C21H25FN4O3/c1-14-18(20(27)25-10-4-5-11-25)24-19(29-14)15-8-12-26(13-9-15)21(28)23-17-7-3-2-6-16(17)22/h2-3,6-7,15H,4-5,8-13H2,1H3,(H,23,28)
InChIKeyOBAVYARRMMSCTK-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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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide (CID 71837579) is N-(2-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide is Cc1oc(C2CCN(C(=O)Nc3ccccc3F)CC2)nc1C(=O)N1CCCC1.
What is the InChIKey of N-(2-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The InChIKey is OBAVYARRMMSCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O3/c1-14-18(20(27)25-10-4-5-11-25)24-19(29-14)15-8-12-26(13-9-15)21(28)23-17-7-3-2-6-16(17)22/h2-3,6-7,15H,4-5,8-13H2,1H3,(H,23,28).
What are the key properties of N-(2-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
N-(2-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-(2-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71837579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).