5-(4-methoxy-3-morpholin-4-ylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide

C21H22N4O4 — CID 57394803

IUPAC5-(4-methoxy-3-morpholin-4-ylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2ocnc2C(=O)NCc2ccncc2)cc1N1CCOCC1
InChIInChI=1S/C21H22N4O4/c1-27-18-3-2-16(12-17(18)25-8-10-28-11-9-25)20-19(24-14-29-20)21(26)23-13-15-4-6-22-7-5-15/h2-7,12,14H,8-11,13H2,1H3,(H,23,26)
InChIKeyODCZTIYVQFAGNO-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.51
Rot. Bonds6

About 5-(4-methoxy-3-morpholin-4-ylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide

5-(4-methoxy-3-morpholin-4-ylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 57394803) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 5-(4-methoxy-3-morpholin-4-ylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-methoxy-3-morpholin-4-ylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID57394803
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name5-(4-methoxy-3-morpholin-4-ylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2ocnc2C(=O)NCc2ccncc2)cc1N1CCOCC1
InChIInChI=1S/C21H22N4O4/c1-27-18-3-2-16(12-17(18)25-8-10-28-11-9-25)20-19(24-14-29-20)21(26)23-13-15-4-6-22-7-5-15/h2-7,12,14H,8-11,13H2,1H3,(H,23,26)
InChIKeyODCZTIYVQFAGNO-UHFFFAOYSA-N
XLogP2.51
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-morpholin-4-ylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-methoxy-3-morpholin-4-ylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide (CID 57394803) is 5-(4-methoxy-3-morpholin-4-ylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-methoxy-3-morpholin-4-ylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-methoxy-3-morpholin-4-ylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide is COc1ccc(-c2ocnc2C(=O)NCc2ccncc2)cc1N1CCOCC1.
What is the InChIKey of 5-(4-methoxy-3-morpholin-4-ylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is ODCZTIYVQFAGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-27-18-3-2-16(12-17(18)25-8-10-28-11-9-25)20-19(24-14-29-20)21(26)23-13-15-4-6-22-7-5-15/h2-7,12,14H,8-11,13H2,1H3,(H,23,26).
What are the key properties of 5-(4-methoxy-3-morpholin-4-ylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide?
5-(4-methoxy-3-morpholin-4-ylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-morpholin-4-ylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 57394803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).