5-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one

C24H23N3O3 — CID 21319368

IUPAC5-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCn1c(-c2ccc(CN3CCOCC3)cc2)cc2onc(-c3ccccc3)c2c1=O
InChIInChI=1S/C24H23N3O3/c1-26-20(18-9-7-17(8-10-18)16-27-11-13-29-14-12-27)15-21-22(24(26)28)23(25-30-21)19-5-3-2-4-6-19/h2-10,15H,11-14,16H2,1H3
InChIKeyTYFDJJNBSDHYLQ-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.69
Rot. Bonds4

About 5-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one

5-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one (PubChem CID 21319368) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 5-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
PubChem CID21319368
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name5-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCn1c(-c2ccc(CN3CCOCC3)cc2)cc2onc(-c3ccccc3)c2c1=O
InChIInChI=1S/C24H23N3O3/c1-26-20(18-9-7-17(8-10-18)16-27-11-13-29-14-12-27)15-21-22(24(26)28)23(25-30-21)19-5-3-2-4-6-19/h2-10,15H,11-14,16H2,1H3
InChIKeyTYFDJJNBSDHYLQ-UHFFFAOYSA-N
XLogP3.69
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The IUPAC name of 5-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one (CID 21319368) is 5-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one is Cn1c(-c2ccc(CN3CCOCC3)cc2)cc2onc(-c3ccccc3)c2c1=O.
What is the InChIKey of 5-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The InChIKey is TYFDJJNBSDHYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-26-20(18-9-7-17(8-10-18)16-27-11-13-29-14-12-27)15-21-22(24(26)28)23(25-30-21)19-5-3-2-4-6-19/h2-10,15H,11-14,16H2,1H3.
What are the key properties of 5-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
5-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one has a molecular weight of 401.47 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 21319368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).