N-[1-(4-fluorophenyl)propyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide

C19H18FN3O2 — CID 16677391

IUPACN-[1-(4-fluorophenyl)propyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
SMILESCCC(NC(=O)c1c(-c2ccncc2)noc1C)c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O2/c1-3-16(13-4-6-15(20)7-5-13)22-19(24)17-12(2)25-23-18(17)14-8-10-21-11-9-14/h4-11,16H,3H2,1-2H3,(H,22,24)
InChIKeyBGPSTMQLZINSNE-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.07
Rot. Bonds5

About N-[1-(4-fluorophenyl)propyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide

N-[1-(4-fluorophenyl)propyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide (PubChem CID 16677391) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
PubChem CID16677391
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[1-(4-fluorophenyl)propyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
SMILESCCC(NC(=O)c1c(-c2ccncc2)noc1C)c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O2/c1-3-16(13-4-6-15(20)7-5-13)22-19(24)17-12(2)25-23-18(17)14-8-10-21-11-9-14/h4-11,16H,3H2,1-2H3,(H,22,24)
InChIKeyBGPSTMQLZINSNE-UHFFFAOYSA-N
XLogP4.07
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-3-phenyl-6-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 22015566
5-methyl-6-phenyl-3-(pyridin-4-yl)isoxazolo[4,5-c]pyridin-4(5H)-one
CID 23579326
5-phenyl-N-(2-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973877
3-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 24983174
5-phenyl-N-(3-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973868
4-[3-(4-Fluorophenyl)-5-isopropylisoxazol-4-yl]pyridine
CID 16115351
5-methyl-6-phenyl-3-(pyridin-2-yl)isoxazolo[4,5-c]pyridin-4(5H)-one
CID 23579324
5-methyl-6-phenyl-3-(pyridin-3-yl)isoxazolo[4,5-c]pyridin-4(5H)-one
CID 23579325
(3S,6R)-4-[5-(4-fluorophenyl)isoxazole-3-carbonyl]-3-isobutyl-6-(1H-pyrrol-2-yl)piperazin-2-one
CID 68158217
N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 118706305
N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 118706306
N-benzyl-3-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methylamino]benzamide
CID 137656838

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)propyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide (CID 16677391) is N-[1-(4-fluorophenyl)propyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)propyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)propyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide is CCC(NC(=O)c1c(-c2ccncc2)noc1C)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)propyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide?
The InChIKey is BGPSTMQLZINSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-3-16(13-4-6-15(20)7-5-13)22-19(24)17-12(2)25-23-18(17)14-8-10-21-11-9-14/h4-11,16H,3H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(4-fluorophenyl)propyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide?
N-[1-(4-fluorophenyl)propyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 16677391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).