N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-3-pyridin-3-yl-1,2-oxazole-5-carboxamide

C26H23N3O4S — CID 46882212

IUPACN-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-3-pyridin-3-yl-1,2-oxazole-5-carboxamide
SMILESO=C(N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1)c1cc(-c2cccnc2)no1
InChIInChI=1S/C26H23N3O4S/c30-26(25-18-24(29-33-25)21-10-7-16-27-19-21)28-22(14-13-20-8-3-1-4-9-20)15-17-34(31,32)23-11-5-2-6-12-23/h1-12,15-19,22H,13-14H2,(H,28,30)/b17-15+/t22-/m0/s1
InChIKeyOGMBKJCSYTUQFC-DKXPKDADSA-N
MW473.55 g/mol
LogP4.46
Rot. Bonds9

About N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-3-pyridin-3-yl-1,2-oxazole-5-carboxamide

N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-3-pyridin-3-yl-1,2-oxazole-5-carboxamide (PubChem CID 46882212) has the molecular formula C26H23N3O4S and a molecular weight of 473.55 g/mol. Its IUPAC name is N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-3-pyridin-3-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-3-pyridin-3-yl-1,2-oxazole-5-carboxamide
PubChem CID46882212
Molecular FormulaC26H23N3O4S
Molecular Weight473.55 g/mol
Exact Mass473.14
IUPAC NameN-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-3-pyridin-3-yl-1,2-oxazole-5-carboxamide
SMILESO=C(N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1)c1cc(-c2cccnc2)no1
InChIInChI=1S/C26H23N3O4S/c30-26(25-18-24(29-33-25)21-10-7-16-27-19-21)28-22(14-13-20-8-3-1-4-9-20)15-17-34(31,32)23-11-5-2-6-12-23/h1-12,15-19,22H,13-14H2,(H,28,30)/b17-15+/t22-/m0/s1
InChIKeyOGMBKJCSYTUQFC-DKXPKDADSA-N
XLogP4.46
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-3-pyridin-3-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-3-pyridin-3-yl-1,2-oxazole-5-carboxamide (CID 46882212) is N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-3-pyridin-3-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-3-pyridin-3-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-3-pyridin-3-yl-1,2-oxazole-5-carboxamide is O=C(N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1)c1cc(-c2cccnc2)no1.
What is the InChIKey of N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-3-pyridin-3-yl-1,2-oxazole-5-carboxamide?
The InChIKey is OGMBKJCSYTUQFC-DKXPKDADSA-N. The full InChI is InChI=1S/C26H23N3O4S/c30-26(25-18-24(29-33-25)21-10-7-16-27-19-21)28-22(14-13-20-8-3-1-4-9-20)15-17-34(31,32)23-11-5-2-6-12-23/h1-12,15-19,22H,13-14H2,(H,28,30)/b17-15+/t22-/m0/s1.
What are the key properties of N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-3-pyridin-3-yl-1,2-oxazole-5-carboxamide?
N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-3-pyridin-3-yl-1,2-oxazole-5-carboxamide has a molecular weight of 473.55 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-3-pyridin-3-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46882212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).