N-benzyl-3-[(5-pyridin-4-yl-1,2-oxazol-3-yl)methylamino]benzamide

C23H20N4O2 — CID 11603404

IUPACN-benzyl-3-[(5-pyridin-4-yl-1,2-oxazol-3-yl)methylamino]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(NCc2cc(-c3ccncc3)on2)c1
InChIInChI=1S/C23H20N4O2/c28-23(26-15-17-5-2-1-3-6-17)19-7-4-8-20(13-19)25-16-21-14-22(29-27-21)18-9-11-24-12-10-18/h1-14,25H,15-16H2,(H,26,28)
InChIKeyOTNWPJUPTWXBRM-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.28
Rot. Bonds7

About N-benzyl-3-[(5-pyridin-4-yl-1,2-oxazol-3-yl)methylamino]benzamide

N-benzyl-3-[(5-pyridin-4-yl-1,2-oxazol-3-yl)methylamino]benzamide (PubChem CID 11603404) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-benzyl-3-[(5-pyridin-4-yl-1,2-oxazol-3-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[(5-pyridin-4-yl-1,2-oxazol-3-yl)methylamino]benzamide
PubChem CID11603404
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-benzyl-3-[(5-pyridin-4-yl-1,2-oxazol-3-yl)methylamino]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(NCc2cc(-c3ccncc3)on2)c1
InChIInChI=1S/C23H20N4O2/c28-23(26-15-17-5-2-1-3-6-17)19-7-4-8-20(13-19)25-16-21-14-22(29-27-21)18-9-11-24-12-10-18/h1-14,25H,15-16H2,(H,26,28)
InChIKeyOTNWPJUPTWXBRM-UHFFFAOYSA-N
XLogP4.28
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4S)-1-cyclohexyl-3-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141678041
5-phenyl-N-(2-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973877
5-phenyl-N-(3-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973868
(3S,6R)-4-[5-(4-fluorophenyl)isoxazole-3-carbonyl]-3-isobutyl-6-(1H-pyrrol-2-yl)piperazin-2-one
CID 68158217
N-benzyl-3-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methylamino]benzamide
CID 137656838
N-[(3S,4S)-1-cyclohexyl-3-(pyridin-2-ylmethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141677967
N-[(3R,4R)-1-cyclohexyl-3-[[(1R)-1-pyridin-2-ylethyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141677971
N-[(3S,4S)-1-cyclohexyl-3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141677978
N-[(3S,4S)-1-cyclohexyl-3-(2-pyridin-2-ylethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141678009
N-[(3S,4S)-1-cyclohexyl-3-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141678115
N-[(3R,4R)-1-cyclohexyl-3-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141678130
N-[(3S,4S)-1-cyclohexyl-3-[[(1R)-1-pyridin-2-ylethyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141678136

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(5-pyridin-4-yl-1,2-oxazol-3-yl)methylamino]benzamide?
The IUPAC name of N-benzyl-3-[(5-pyridin-4-yl-1,2-oxazol-3-yl)methylamino]benzamide (CID 11603404) is N-benzyl-3-[(5-pyridin-4-yl-1,2-oxazol-3-yl)methylamino]benzamide.
What is the SMILES notation for N-benzyl-3-[(5-pyridin-4-yl-1,2-oxazol-3-yl)methylamino]benzamide?
The canonical SMILES for N-benzyl-3-[(5-pyridin-4-yl-1,2-oxazol-3-yl)methylamino]benzamide is O=C(NCc1ccccc1)c1cccc(NCc2cc(-c3ccncc3)on2)c1.
What is the InChIKey of N-benzyl-3-[(5-pyridin-4-yl-1,2-oxazol-3-yl)methylamino]benzamide?
The InChIKey is OTNWPJUPTWXBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c28-23(26-15-17-5-2-1-3-6-17)19-7-4-8-20(13-19)25-16-21-14-22(29-27-21)18-9-11-24-12-10-18/h1-14,25H,15-16H2,(H,26,28).
What are the key properties of N-benzyl-3-[(5-pyridin-4-yl-1,2-oxazol-3-yl)methylamino]benzamide?
N-benzyl-3-[(5-pyridin-4-yl-1,2-oxazol-3-yl)methylamino]benzamide has a molecular weight of 384.44 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(5-pyridin-4-yl-1,2-oxazol-3-yl)methylamino]benzamide is sourced from PubChem (CID 11603404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).