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

C22H22ClN3O4 — CID 42630774

IUPAC6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide
SMILESCc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)NC2CCOCC2)cn1
InChIInChI=1S/C22H22ClN3O4/c1-14-19(21(26-30-14)15-2-5-17(23)6-3-15)13-29-20-7-4-16(12-24-20)22(27)25-18-8-10-28-11-9-18/h2-7,12,18H,8-11,13H2,1H3,(H,25,27)
InChIKeyXQHRCBXORFSYSR-UHFFFAOYSA-N
MW427.89 g/mol
LogP4.19
Rot. Bonds6

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

6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide (PubChem CID 42630774) has the molecular formula C22H22ClN3O4 and a molecular weight of 427.89 g/mol. Its IUPAC name is 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide
PubChem CID42630774
Molecular FormulaC22H22ClN3O4
Molecular Weight427.89 g/mol
Exact Mass427.13
IUPAC Name6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide
SMILESCc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)NC2CCOCC2)cn1
InChIInChI=1S/C22H22ClN3O4/c1-14-19(21(26-30-14)15-2-5-17(23)6-3-15)13-29-20-7-4-16(12-24-20)22(27)25-18-8-10-28-11-9-18/h2-7,12,18H,8-11,13H2,1H3,(H,25,27)
InChIKeyXQHRCBXORFSYSR-UHFFFAOYSA-N
XLogP4.19
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-6-[(5-methyl-3-pyridin-4-yl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide
CID 42629333
6-[[3-(5-fluoropiperidin-2-yl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide
CID 90683545
6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide
CID 59568543
N-[(3S)-1,1-dioxothiolan-3-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide
CID 134604392
6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N'-(cyclopropylmethyl)pyridine-3-carboximidamide
CID 123504063
6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 134588508
N-cyclopropyl-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboxamide
CID 134588252
N-cyclopropyl-6-[(5-methyl-3-pyridin-4-yl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxamide
CID 67158115
6-[[5-cyclopropyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 134588264
6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3S)-oxan-3-yl]pyridazine-3-carboxamide
CID 134590430
N-[1-[6-[[3-(6-cyclopropyl-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]ethenyl]oxan-4-amine;5-methyl-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide;N-[1-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]ethenyl]oxan-4-amine
CID 157336645
N-(3-hydroxybutyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide
CID 42629807

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide (CID 42630774) is 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide is Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)NC2CCOCC2)cn1.
What is the InChIKey of 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide?
The InChIKey is XQHRCBXORFSYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O4/c1-14-19(21(26-30-14)15-2-5-17(23)6-3-15)13-29-20-7-4-16(12-24-20)22(27)25-18-8-10-28-11-9-18/h2-7,12,18H,8-11,13H2,1H3,(H,25,27).
What are the key properties of 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide?
6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide has a molecular weight of 427.89 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 42630774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).