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

C22H27FN4O4 — CID 71837547

IUPACN-(3-fluoro-2-methylphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCc1oc(C2CCN(C(=O)Nc3cccc(F)c3C)CC2)nc1C(=O)N1CCOCC1
InChIInChI=1S/C22H27FN4O4/c1-14-17(23)4-3-5-18(14)24-22(29)27-8-6-16(7-9-27)20-25-19(15(2)31-20)21(28)26-10-12-30-13-11-26/h3-5,16H,6-13H2,1-2H3,(H,24,29)
InChIKeyGPWLUDHTJRVFOC-UHFFFAOYSA-N
MW430.48 g/mol
LogP3.31
Rot. Bonds3

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

N-(3-fluoro-2-methylphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide (PubChem CID 71837547) has the molecular formula C22H27FN4O4 and a molecular weight of 430.48 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
PubChem CID71837547
Molecular FormulaC22H27FN4O4
Molecular Weight430.48 g/mol
Exact Mass430.20
IUPAC NameN-(3-fluoro-2-methylphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCc1oc(C2CCN(C(=O)Nc3cccc(F)c3C)CC2)nc1C(=O)N1CCOCC1
InChIInChI=1S/C22H27FN4O4/c1-14-17(23)4-3-5-18(14)24-22(29)27-8-6-16(7-9-27)20-25-19(15(2)31-20)21(28)26-10-12-30-13-11-26/h3-5,16H,6-13H2,1-2H3,(H,24,29)
InChIKeyGPWLUDHTJRVFOC-UHFFFAOYSA-N
XLogP3.31
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(3-Fluoro-2-methylphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]piperidine-1-carboxamide
CID 71837574
2-{1-[(3-fluoro-2-methylanilino)carbonyl]-4-piperidyl}-N~4~,N~4~,5-trimethyl-1,3-oxazole-4-carboxamide
CID 71837610
2-(3-Fluorophenyl)-1-{4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-YL]piperidin-1-YL}ethan-1-one
CID 53168396
2-(3-Fluorophenyl)-1-{4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-YL]piperidin-1-YL}ethan-1-one
CID 53168414
4-{4-[(dimethylamino)carbonyl]-5-methyl-1,3-oxazol-2-yl}-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 53168447
4-{4-[(dimethylamino)carbonyl]-5-methyl-1,3-oxazol-2-yl}-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 53168449
4-{4-[(dimethylamino)carbonyl]-5-methyl-1,3-oxazol-2-yl}-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 53168450
4-{4-[(dimethylamino)carbonyl]-5-methyl-1,3-oxazol-2-yl}-N-(3-fluoro-4-methoxyphenyl)piperidine-1-carboxamide
CID 53168460
4-[5-methyl-4-(piperidin-1-ylcarbonyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 53168479
N-(4-Chloro-2-fluorophenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-YL]piperidine-1-carboxamide
CID 53168490
N-(3-fluoro-4-methoxyphenyl)-4-[5-methyl-4-(piperidin-1-ylcarbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 53168491
N-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195141

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3-fluoro-2-methylphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide (CID 71837547) is N-(3-fluoro-2-methylphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide is Cc1oc(C2CCN(C(=O)Nc3cccc(F)c3C)CC2)nc1C(=O)N1CCOCC1.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The InChIKey is GPWLUDHTJRVFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O4/c1-14-17(23)4-3-5-18(14)24-22(29)27-8-6-16(7-9-27)20-25-19(15(2)31-20)21(28)26-10-12-30-13-11-26/h3-5,16H,6-13H2,1-2H3,(H,24,29).
What are the key properties of N-(3-fluoro-2-methylphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
N-(3-fluoro-2-methylphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide has a molecular weight of 430.48 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methylphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71837547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).