N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C24H23N3O4 — CID 34845376

IUPACN-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cc(-c3ccccc3)nc3onc(C)c23)c1OC
InChIInChI=1S/C24H23N3O4/c1-15-21-18(13-19(25-23(21)31-26-15)16-9-6-5-7-10-16)24(28)27(2)14-17-11-8-12-20(29-3)22(17)30-4/h5-13H,14H2,1-4H3
InChIKeyPHVMEKXHVUCGNI-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.49
Rot. Bonds6

About N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 34845376) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID34845376
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cc(-c3ccccc3)nc3onc(C)c23)c1OC
InChIInChI=1S/C24H23N3O4/c1-15-21-18(13-19(25-23(21)31-26-15)16-9-6-5-7-10-16)24(28)27(2)14-17-11-8-12-20(29-3)22(17)30-4/h5-13H,14H2,1-4H3
InChIKeyPHVMEKXHVUCGNI-UHFFFAOYSA-N
XLogP4.49
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,3-dimethyl-N-[(4-methylquinazolin-2-yl)methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51133374
methyl 2-methyl-5-[[methyl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylate
CID 30778475
N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51336601
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55485172
6-(furan-2-yl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18150886
2-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide
CID 31361151
N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134051395
3-[[6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 120524366
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55522795
2-hydroxyethyl 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 71943087
propyl 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46542963
N-(2-anilino-2-oxoethyl)-N,3-dimethyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55638797

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 34845376) is N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COc1cccc(CN(C)C(=O)c2cc(-c3ccccc3)nc3onc(C)c23)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is PHVMEKXHVUCGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-15-21-18(13-19(25-23(21)31-26-15)16-9-6-5-7-10-16)24(28)27(2)14-17-11-8-12-20(29-3)22(17)30-4/h5-13H,14H2,1-4H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 34845376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).