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

C22H27FN4O3 — CID 71837574

IUPACN-(3-fluoro-2-methylphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCc1oc(C2CCN(C(=O)Nc3cccc(F)c3C)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C22H27FN4O3/c1-14-17(23)6-5-7-18(14)24-22(29)27-12-8-16(9-13-27)20-25-19(15(2)30-20)21(28)26-10-3-4-11-26/h5-7,16H,3-4,8-13H2,1-2H3,(H,24,29)
InChIKeyINBWMLZULNOYTD-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.08
Rot. Bonds3

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

N-(3-fluoro-2-methylphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide (PubChem CID 71837574) has the molecular formula C22H27FN4O3 and a molecular weight of 414.48 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
PubChem CID71837574
Molecular FormulaC22H27FN4O3
Molecular Weight414.48 g/mol
Exact Mass414.21
IUPAC NameN-(3-fluoro-2-methylphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCc1oc(C2CCN(C(=O)Nc3cccc(F)c3C)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C22H27FN4O3/c1-14-17(23)6-5-7-18(14)24-22(29)27-12-8-16(9-13-27)20-25-19(15(2)30-20)21(28)26-10-3-4-11-26/h5-7,16H,3-4,8-13H2,1-2H3,(H,24,29)
InChIKeyINBWMLZULNOYTD-UHFFFAOYSA-N
XLogP4.08
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3-fluoro-2-methylphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide (CID 71837574) is N-(3-fluoro-2-methylphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide is Cc1oc(C2CCN(C(=O)Nc3cccc(F)c3C)CC2)nc1C(=O)N1CCCC1.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The InChIKey is INBWMLZULNOYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O3/c1-14-17(23)6-5-7-18(14)24-22(29)27-12-8-16(9-13-27)20-25-19(15(2)30-20)21(28)26-10-3-4-11-26/h5-7,16H,3-4,8-13H2,1-2H3,(H,24,29).
What are the key properties of N-(3-fluoro-2-methylphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
N-(3-fluoro-2-methylphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide has a molecular weight of 414.48 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methylphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71837574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).