N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C23H25N5O4 — CID 24625782

IUPACN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCOc1cc(OC)cc(C(NC(=O)c2cnc3onc(C(C)C)c3c2)c2nccn2C)c1
InChIInChI=1S/C23H25N5O4/c1-13(2)19-18-10-15(12-25-23(18)32-27-19)22(29)26-20(21-24-6-7-28(21)3)14-8-16(30-4)11-17(9-14)31-5/h6-13,20H,1-5H3,(H,26,29)
InChIKeyXPLBJZYATGGPNM-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.62
Rot. Bonds7

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

N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 24625782) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID24625782
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC NameN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCOc1cc(OC)cc(C(NC(=O)c2cnc3onc(C(C)C)c3c2)c2nccn2C)c1
InChIInChI=1S/C23H25N5O4/c1-13(2)19-18-10-15(12-25-23(18)32-27-19)22(29)26-20(21-24-6-7-28(21)3)14-8-16(30-4)11-17(9-14)31-5/h6-13,20H,1-5H3,(H,26,29)
InChIKeyXPLBJZYATGGPNM-UHFFFAOYSA-N
XLogP3.62
TPSA104.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 51273477
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 55456982
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide
CID 18151112
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzamide
CID 51273493
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119838058
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethylthiophene-2-carboxamide
CID 86912462
tert-butyl N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamate
CID 95318789
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenoxybenzamide
CID 55457244
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide
CID 18284054
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxybenzamide
CID 46631561
N-(3-methylbutan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 42931383
N-[(2R)-3-methylbutan-2-yl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 30137551

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 24625782) is N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is COc1cc(OC)cc(C(NC(=O)c2cnc3onc(C(C)C)c3c2)c2nccn2C)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is XPLBJZYATGGPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-13(2)19-18-10-15(12-25-23(18)32-27-19)22(29)26-20(21-24-6-7-28(21)3)14-8-16(30-4)11-17(9-14)31-5/h6-13,20H,1-5H3,(H,26,29).
What are the key properties of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 24625782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).