1-[4-cyano-2-[(4-fluorophenoxy)methyl]-1,3-oxazol-5-yl]piperidine-4-carboxamide

C17H17FN4O3 — CID 1080230

IUPAC1-[4-cyano-2-[(4-fluorophenoxy)methyl]-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESN#Cc1nc(COc2ccc(F)cc2)oc1N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H17FN4O3/c18-12-1-3-13(4-2-12)24-10-15-21-14(9-19)17(25-15)22-7-5-11(6-8-22)16(20)23/h1-4,11H,5-8,10H2,(H2,20,23)
InChIKeyWMWXXQSWUKZDSB-UHFFFAOYSA-N
MW344.35 g/mol
LogP1.97
Rot. Bonds5

About 1-[4-cyano-2-[(4-fluorophenoxy)methyl]-1,3-oxazol-5-yl]piperidine-4-carboxamide

1-[4-cyano-2-[(4-fluorophenoxy)methyl]-1,3-oxazol-5-yl]piperidine-4-carboxamide (PubChem CID 1080230) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is 1-[4-cyano-2-[(4-fluorophenoxy)methyl]-1,3-oxazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-cyano-2-[(4-fluorophenoxy)methyl]-1,3-oxazol-5-yl]piperidine-4-carboxamide
PubChem CID1080230
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC Name1-[4-cyano-2-[(4-fluorophenoxy)methyl]-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESN#Cc1nc(COc2ccc(F)cc2)oc1N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H17FN4O3/c18-12-1-3-13(4-2-12)24-10-15-21-14(9-19)17(25-15)22-7-5-11(6-8-22)16(20)23/h1-4,11H,5-8,10H2,(H2,20,23)
InChIKeyWMWXXQSWUKZDSB-UHFFFAOYSA-N
XLogP1.97
TPSA105.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(1,3-benzodioxol-5-yloxymethyl)-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 39313732
1-[2-[(4-chlorophenoxy)methyl]-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxylic acid
CID 22300072
1-(2-benzyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide
CID 664488
5-(4-benzylpiperidin-1-yl)-2-[(4-phenylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 18822814
5-(4-benzylpiperidin-1-yl)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 1177296
1-[4-cyano-2-(2-methylcyclopropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 139582768
5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 714112
1-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]piperidine-4-carboxamide
CID 51159283
5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 713880
1-[4-cyano-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 44616242
2-[(4-bromophenoxy)methyl]-5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazole-4-carbonitrile
CID 1177321
2-[(4-bromophenoxy)methyl]-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1,3-oxazole-4-carbonitrile
CID 1177306

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyano-2-[(4-fluorophenoxy)methyl]-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-cyano-2-[(4-fluorophenoxy)methyl]-1,3-oxazol-5-yl]piperidine-4-carboxamide (CID 1080230) is 1-[4-cyano-2-[(4-fluorophenoxy)methyl]-1,3-oxazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-cyano-2-[(4-fluorophenoxy)methyl]-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-cyano-2-[(4-fluorophenoxy)methyl]-1,3-oxazol-5-yl]piperidine-4-carboxamide is N#Cc1nc(COc2ccc(F)cc2)oc1N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[4-cyano-2-[(4-fluorophenoxy)methyl]-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The InChIKey is WMWXXQSWUKZDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3/c18-12-1-3-13(4-2-12)24-10-15-21-14(9-19)17(25-15)22-7-5-11(6-8-22)16(20)23/h1-4,11H,5-8,10H2,(H2,20,23).
What are the key properties of 1-[4-cyano-2-[(4-fluorophenoxy)methyl]-1,3-oxazol-5-yl]piperidine-4-carboxamide?
1-[4-cyano-2-[(4-fluorophenoxy)methyl]-1,3-oxazol-5-yl]piperidine-4-carboxamide has a molecular weight of 344.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyano-2-[(4-fluorophenoxy)methyl]-1,3-oxazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 1080230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).