6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridine-3-carboxamide

C22H23N5O4 — CID 42629806

IUPAC6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridine-3-carboxamide
SMILESCc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCCN2CCNC2=O)cn1
InChIInChI=1S/C22H23N5O4/c1-15-18(20(26-31-15)16-5-3-2-4-6-16)14-30-19-8-7-17(13-25-19)21(28)23-9-11-27-12-10-24-22(27)29/h2-8,13H,9-12,14H2,1H3,(H,23,28)(H,24,29)
InChIKeyTXZSFSUQFBGDQY-UHFFFAOYSA-N
MW421.46 g/mol
LogP2.38
Rot. Bonds8

About 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridine-3-carboxamide

6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridine-3-carboxamide (PubChem CID 42629806) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridine-3-carboxamide
PubChem CID42629806
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC Name6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridine-3-carboxamide
SMILESCc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCCN2CCNC2=O)cn1
InChIInChI=1S/C22H23N5O4/c1-15-18(20(26-31-15)16-5-3-2-4-6-16)14-30-19-8-7-17(13-25-19)21(28)23-9-11-27-12-10-24-22(27)29/h2-8,13H,9-12,14H2,1H3,(H,23,28)(H,24,29)
InChIKeyTXZSFSUQFBGDQY-UHFFFAOYSA-N
XLogP2.38
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridine-3-carboxamide (CID 42629806) is 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridine-3-carboxamide is Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCCN2CCNC2=O)cn1.
What is the InChIKey of 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is TXZSFSUQFBGDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4/c1-15-18(20(26-31-15)16-5-3-2-4-6-16)14-30-19-8-7-17(13-25-19)21(28)23-9-11-27-12-10-24-22(27)29/h2-8,13H,9-12,14H2,1H3,(H,23,28)(H,24,29).
What are the key properties of 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridine-3-carboxamide?
6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 42629806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).