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

C21H23N3O4 — CID 42629807

IUPACN-(3-hydroxybutyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide
SMILESCc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCCC(C)O)cn1
InChIInChI=1S/C21H23N3O4/c1-14(25)10-11-22-21(26)17-8-9-19(23-12-17)27-13-18-15(2)28-24-20(18)16-6-4-3-5-7-16/h3-9,12,14,25H,10-11,13H2,1-2H3,(H,22,26)
InChIKeyXGRYPRZRAAMMKM-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.12
Rot. Bonds8

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

N-(3-hydroxybutyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide (PubChem CID 42629807) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide
PubChem CID42629807
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-(3-hydroxybutyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide
SMILESCc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCCC(C)O)cn1
InChIInChI=1S/C21H23N3O4/c1-14(25)10-11-22-21(26)17-8-9-19(23-12-17)27-13-18-15(2)28-24-20(18)16-6-4-3-5-7-16/h3-9,12,14,25H,10-11,13H2,1-2H3,(H,22,26)
InChIKeyXGRYPRZRAAMMKM-UHFFFAOYSA-N
XLogP3.12
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide (CID 42629807) is N-(3-hydroxybutyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide is Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCCC(C)O)cn1.
What is the InChIKey of N-(3-hydroxybutyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide?
The InChIKey is XGRYPRZRAAMMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-14(25)10-11-22-21(26)17-8-9-19(23-12-17)27-13-18-15(2)28-24-20(18)16-6-4-3-5-7-16/h3-9,12,14,25H,10-11,13H2,1-2H3,(H,22,26).
What are the key properties of N-(3-hydroxybutyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide?
N-(3-hydroxybutyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide is sourced from PubChem (CID 42629807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).