N-[4-(2-fluorophenoxy)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxamide

C23H22FN3O4 — CID 45169175

IUPACN-[4-(2-fluorophenoxy)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxamide
SMILESCc1ncoc1C(=O)N1CCCCC1C(=O)Nc1ccc(Oc2ccccc2F)cc1
InChIInChI=1S/C23H22FN3O4/c1-15-21(30-14-25-15)23(29)27-13-5-4-7-19(27)22(28)26-16-9-11-17(12-10-16)31-20-8-3-2-6-18(20)24/h2-3,6,8-12,14,19H,4-5,7,13H2,1H3,(H,26,28)
InChIKeyMUDCFFRHSNVEJM-UHFFFAOYSA-N
MW423.44 g/mol
LogP4.55
Rot. Bonds5

About N-[4-(2-fluorophenoxy)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxamide

N-[4-(2-fluorophenoxy)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxamide (PubChem CID 45169175) has the molecular formula C23H22FN3O4 and a molecular weight of 423.44 g/mol. Its IUPAC name is N-[4-(2-fluorophenoxy)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-fluorophenoxy)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxamide
PubChem CID45169175
Molecular FormulaC23H22FN3O4
Molecular Weight423.44 g/mol
Exact Mass423.16
IUPAC NameN-[4-(2-fluorophenoxy)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxamide
SMILESCc1ncoc1C(=O)N1CCCCC1C(=O)Nc1ccc(Oc2ccccc2F)cc1
InChIInChI=1S/C23H22FN3O4/c1-15-21(30-14-25-15)23(29)27-13-5-4-7-19(27)22(28)26-16-9-11-17(12-10-16)31-20-8-3-2-6-18(20)24/h2-3,6,8-12,14,19H,4-5,7,13H2,1H3,(H,26,28)
InChIKeyMUDCFFRHSNVEJM-UHFFFAOYSA-N
XLogP4.55
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(4-phenoxyphenyl)oxazole-5-carboxamide
CID 3237501
2,4-dimethyl-N-(4-phenoxyphenyl)-1,3-oxazole-5-carboxamide
CID 3238135
N-Methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
CID 110198273
N-(2-Methoxyethyl)-1-(4-methyl-1,3-oxazole-5-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
CID 110198378
N-(4-fluorophenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46055622
1,5-anhydro-2,4-dideoxy-4-{[(4-methyl-1,3-oxazol-5-yl)carbonyl]amino}-3-O-(6-methylpyridin-3-yl)-D-erythro-pentitol
CID 91775470
[(2S)-2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 164630306
[2-(4-Fluorophenyl)-4-methyl-1,3-oxazol-5-yl]-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanone
CID 66796953
5-(4-fluoro-phenyl)-2-phenoxymethyl-6,7-dihydro-5H-oxazolo[5,4-c]pyridin-4-one
CID 71696720
(rac)-5-(4-fluoro-phenyl)-6-methyl-2-phenoxymethyl-6,7-dihydro-5H-oxazolo[5,4-c]pyridin-4-ONE
CID 71730756
5-(3,5-Difluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one
CID 71730761
5-(2,4-Difluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one
CID 71730888

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluorophenoxy)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-[4-(2-fluorophenoxy)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxamide (CID 45169175) is N-[4-(2-fluorophenoxy)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[4-(2-fluorophenoxy)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-[4-(2-fluorophenoxy)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxamide is Cc1ncoc1C(=O)N1CCCCC1C(=O)Nc1ccc(Oc2ccccc2F)cc1.
What is the InChIKey of N-[4-(2-fluorophenoxy)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxamide?
The InChIKey is MUDCFFRHSNVEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O4/c1-15-21(30-14-25-15)23(29)27-13-5-4-7-19(27)22(28)26-16-9-11-17(12-10-16)31-20-8-3-2-6-18(20)24/h2-3,6,8-12,14,19H,4-5,7,13H2,1H3,(H,26,28).
What are the key properties of N-[4-(2-fluorophenoxy)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxamide?
N-[4-(2-fluorophenoxy)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxamide has a molecular weight of 423.44 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluorophenoxy)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 45169175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).