N-[3-(1,2-oxazol-5-yl)phenyl]-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

C19H20N4O4S — CID 46276118

IUPACN-[3-(1,2-oxazol-5-yl)phenyl]-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccno2)c1)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1
InChIInChI=1S/C19H20N4O4S/c24-19(22-15-6-4-5-14(11-15)18-7-8-21-27-18)17-12-16(13-20-17)28(25,26)23-9-2-1-3-10-23/h4-8,11-13,20H,1-3,9-10H2,(H,22,24)
InChIKeyOXOTYUSHGGTMOT-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.10
Rot. Bonds5

About N-[3-(1,2-oxazol-5-yl)phenyl]-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

N-[3-(1,2-oxazol-5-yl)phenyl]-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide (PubChem CID 46276118) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[3-(1,2-oxazol-5-yl)phenyl]-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,2-oxazol-5-yl)phenyl]-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
PubChem CID46276118
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-[3-(1,2-oxazol-5-yl)phenyl]-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccno2)c1)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1
InChIInChI=1S/C19H20N4O4S/c24-19(22-15-6-4-5-14(11-15)18-7-8-21-27-18)17-12-16(13-20-17)28(25,26)23-9-2-1-3-10-23/h4-8,11-13,20H,1-3,9-10H2,(H,22,24)
InChIKeyOXOTYUSHGGTMOT-UHFFFAOYSA-N
XLogP3.10
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2-oxazol-5-yl)phenyl]-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[3-(1,2-oxazol-5-yl)phenyl]-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide (CID 46276118) is N-[3-(1,2-oxazol-5-yl)phenyl]-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[3-(1,2-oxazol-5-yl)phenyl]-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[3-(1,2-oxazol-5-yl)phenyl]-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide is O=C(Nc1cccc(-c2ccno2)c1)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1.
What is the InChIKey of N-[3-(1,2-oxazol-5-yl)phenyl]-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The InChIKey is OXOTYUSHGGTMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c24-19(22-15-6-4-5-14(11-15)18-7-8-21-27-18)17-12-16(13-20-17)28(25,26)23-9-2-1-3-10-23/h4-8,11-13,20H,1-3,9-10H2,(H,22,24).
What are the key properties of N-[3-(1,2-oxazol-5-yl)phenyl]-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
N-[3-(1,2-oxazol-5-yl)phenyl]-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2-oxazol-5-yl)phenyl]-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 46276118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).