N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C25H23N5O3S — CID 24660652

IUPACN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1C(NC(=O)c1cc(-c2ccc(C)s2)nc2onc(C)c12)c1nccn1C
InChIInChI=1S/C25H23N5O3S/c1-14-9-10-20(34-14)18-13-17(21-15(2)29-33-25(21)27-18)24(31)28-22(23-26-11-12-30(23)3)16-7-5-6-8-19(16)32-4/h5-13,22H,1-4H3,(H,28,31)
InChIKeyRUVWHJKOHCWRCH-UHFFFAOYSA-N
MW473.56 g/mol
LogP4.83
Rot. Bonds6

About N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24660652) has the molecular formula C25H23N5O3S and a molecular weight of 473.56 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID24660652
Molecular FormulaC25H23N5O3S
Molecular Weight473.56 g/mol
Exact Mass473.15
IUPAC NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1C(NC(=O)c1cc(-c2ccc(C)s2)nc2onc(C)c12)c1nccn1C
InChIInChI=1S/C25H23N5O3S/c1-14-9-10-20(34-14)18-13-17(21-15(2)29-33-25(21)27-18)24(31)28-22(23-26-11-12-30(23)3)16-7-5-6-8-19(16)32-4/h5-13,22H,1-4H3,(H,28,31)
InChIKeyRUVWHJKOHCWRCH-UHFFFAOYSA-N
XLogP4.83
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 24660652) is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COc1ccccc1C(NC(=O)c1cc(-c2ccc(C)s2)nc2onc(C)c12)c1nccn1C.
What is the InChIKey of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is RUVWHJKOHCWRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3S/c1-14-9-10-20(34-14)18-13-17(21-15(2)29-33-25(21)27-18)24(31)28-22(23-26-11-12-30(23)3)16-7-5-6-8-19(16)32-4/h5-13,22H,1-4H3,(H,28,31).
What are the key properties of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 473.56 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24660652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).