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

C21H25FN4O4 — CID 71837561

IUPACN-(4-fluorophenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCc1oc(C2CCN(C(=O)Nc3ccc(F)cc3)CC2)nc1C(=O)N1CCOCC1
InChIInChI=1S/C21H25FN4O4/c1-14-18(20(27)25-10-12-29-13-11-25)24-19(30-14)15-6-8-26(9-7-15)21(28)23-17-4-2-16(22)3-5-17/h2-5,15H,6-13H2,1H3,(H,23,28)
InChIKeyHGOQRIFZMKORBU-UHFFFAOYSA-N
MW416.45 g/mol
LogP3.01
Rot. Bonds3

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

N-(4-fluorophenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide (PubChem CID 71837561) has the molecular formula C21H25FN4O4 and a molecular weight of 416.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
PubChem CID71837561
Molecular FormulaC21H25FN4O4
Molecular Weight416.45 g/mol
Exact Mass416.19
IUPAC NameN-(4-fluorophenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCc1oc(C2CCN(C(=O)Nc3ccc(F)cc3)CC2)nc1C(=O)N1CCOCC1
InChIInChI=1S/C21H25FN4O4/c1-14-18(20(27)25-10-12-29-13-11-25)24-19(30-14)15-6-8-26(9-7-15)21(28)23-17-4-2-16(22)3-5-17/h2-5,15H,6-13H2,1H3,(H,23,28)
InChIKeyHGOQRIFZMKORBU-UHFFFAOYSA-N
XLogP3.01
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
1-[[1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-3-phenylurea
CID 53597518

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide (CID 71837561) is N-(4-fluorophenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide is Cc1oc(C2CCN(C(=O)Nc3ccc(F)cc3)CC2)nc1C(=O)N1CCOCC1.
What is the InChIKey of N-(4-fluorophenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The InChIKey is HGOQRIFZMKORBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O4/c1-14-18(20(27)25-10-12-29-13-11-25)24-19(30-14)15-6-8-26(9-7-15)21(28)23-17-4-2-16(22)3-5-17/h2-5,15H,6-13H2,1H3,(H,23,28).
What are the key properties of N-(4-fluorophenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
N-(4-fluorophenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide has a molecular weight of 416.45 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71837561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).