1-[3-(dimethylamino)-5-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]phenyl]pyridin-2-one

C27H29N3O3 — CID 160685998

IUPAC1-[3-(dimethylamino)-5-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]phenyl]pyridin-2-one
SMILESCCOCc1ccc(C)c(Cc2ncc(-c3cc(N(C)C)cc(-n4ccccc4=O)c3)o2)c1
InChIInChI=1S/C27H29N3O3/c1-5-32-18-20-10-9-19(2)21(12-20)15-26-28-17-25(33-26)22-13-23(29(3)4)16-24(14-22)30-11-7-6-8-27(30)31/h6-14,16-17H,5,15,18H2,1-4H3
InChIKeyROTPSPAIBXRQDJ-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.99
Rot. Bonds8

About 1-[3-(dimethylamino)-5-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]phenyl]pyridin-2-one

1-[3-(dimethylamino)-5-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]phenyl]pyridin-2-one (PubChem CID 160685998) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-5-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-(dimethylamino)-5-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]phenyl]pyridin-2-one
PubChem CID160685998
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name1-[3-(dimethylamino)-5-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]phenyl]pyridin-2-one
SMILESCCOCc1ccc(C)c(Cc2ncc(-c3cc(N(C)C)cc(-n4ccccc4=O)c3)o2)c1
InChIInChI=1S/C27H29N3O3/c1-5-32-18-20-10-9-19(2)21(12-20)15-26-28-17-25(33-26)22-13-23(29(3)4)16-24(14-22)30-11-7-6-8-27(30)31/h6-14,16-17H,5,15,18H2,1-4H3
InChIKeyROTPSPAIBXRQDJ-UHFFFAOYSA-N
XLogP4.99
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-5-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]phenyl]pyridin-2-one?
The IUPAC name of 1-[3-(dimethylamino)-5-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]phenyl]pyridin-2-one (CID 160685998) is 1-[3-(dimethylamino)-5-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]phenyl]pyridin-2-one.
What is the SMILES notation for 1-[3-(dimethylamino)-5-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]phenyl]pyridin-2-one?
The canonical SMILES for 1-[3-(dimethylamino)-5-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]phenyl]pyridin-2-one is CCOCc1ccc(C)c(Cc2ncc(-c3cc(N(C)C)cc(-n4ccccc4=O)c3)o2)c1.
What is the InChIKey of 1-[3-(dimethylamino)-5-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]phenyl]pyridin-2-one?
The InChIKey is ROTPSPAIBXRQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-5-32-18-20-10-9-19(2)21(12-20)15-26-28-17-25(33-26)22-13-23(29(3)4)16-24(14-22)30-11-7-6-8-27(30)31/h6-14,16-17H,5,15,18H2,1-4H3.
What are the key properties of 1-[3-(dimethylamino)-5-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]phenyl]pyridin-2-one?
1-[3-(dimethylamino)-5-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]phenyl]pyridin-2-one has a molecular weight of 443.55 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-5-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]phenyl]pyridin-2-one is sourced from PubChem (CID 160685998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).