4-methyl-3-[4-[2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-pyridin-2-one

C27H29N5O4 — CID 71243476

IUPAC4-methyl-3-[4-[2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-pyridin-2-one
SMILESCc1ccc(OCCN2CCOCC2)cc1Nc1ncc(-c2ccnc(-c3c(C)cc[nH]c3=O)c2)o1
InChIInChI=1S/C27H29N5O4/c1-18-3-4-21(35-14-11-32-9-12-34-13-10-32)16-22(18)31-27-30-17-24(36-27)20-6-8-28-23(15-20)25-19(2)5-7-29-26(25)33/h3-8,15-17H,9-14H2,1-2H3,(H,29,33)(H,30,31)
InChIKeyJMQHDFWZZAYQDH-UHFFFAOYSA-N
MW487.56 g/mol
LogP4.16
Rot. Bonds8

About 4-methyl-3-[4-[2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-pyridin-2-one

4-methyl-3-[4-[2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-pyridin-2-one (PubChem CID 71243476) has the molecular formula C27H29N5O4 and a molecular weight of 487.56 g/mol. Its IUPAC name is 4-methyl-3-[4-[2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methyl-3-[4-[2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-pyridin-2-one
PubChem CID71243476
Molecular FormulaC27H29N5O4
Molecular Weight487.56 g/mol
Exact Mass487.22
IUPAC Name4-methyl-3-[4-[2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-pyridin-2-one
SMILESCc1ccc(OCCN2CCOCC2)cc1Nc1ncc(-c2ccnc(-c3c(C)cc[nH]c3=O)c2)o1
InChIInChI=1S/C27H29N5O4/c1-18-3-4-21(35-14-11-32-9-12-34-13-10-32)16-22(18)31-27-30-17-24(36-27)20-6-8-28-23(15-20)25-19(2)5-7-29-26(25)33/h3-8,15-17H,9-14H2,1-2H3,(H,29,33)(H,30,31)
InChIKeyJMQHDFWZZAYQDH-UHFFFAOYSA-N
XLogP4.16
TPSA105.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[4-[2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-pyridin-2-one?
The IUPAC name of 4-methyl-3-[4-[2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-pyridin-2-one (CID 71243476) is 4-methyl-3-[4-[2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-methyl-3-[4-[2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-pyridin-2-one?
The canonical SMILES for 4-methyl-3-[4-[2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-pyridin-2-one is Cc1ccc(OCCN2CCOCC2)cc1Nc1ncc(-c2ccnc(-c3c(C)cc[nH]c3=O)c2)o1.
What is the InChIKey of 4-methyl-3-[4-[2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-pyridin-2-one?
The InChIKey is JMQHDFWZZAYQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O4/c1-18-3-4-21(35-14-11-32-9-12-34-13-10-32)16-22(18)31-27-30-17-24(36-27)20-6-8-28-23(15-20)25-19(2)5-7-29-26(25)33/h3-8,15-17H,9-14H2,1-2H3,(H,29,33)(H,30,31).
What are the key properties of 4-methyl-3-[4-[2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-pyridin-2-one?
4-methyl-3-[4-[2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-pyridin-2-one has a molecular weight of 487.56 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[4-[2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-pyridin-2-one is sourced from PubChem (CID 71243476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).