N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide

C28H25N5O4 — CID 118755297

IUPACN-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1oc(-c2ccccc2NC(=O)CCOc2ccccc2)nc1CNC(=O)c1cn2ccccc2n1
InChIInChI=1S/C28H25N5O4/c1-19-23(17-29-27(35)24-18-33-15-8-7-13-25(33)30-24)32-28(37-19)21-11-5-6-12-22(21)31-26(34)14-16-36-20-9-3-2-4-10-20/h2-13,15,18H,14,16-17H2,1H3,(H,29,35)(H,31,34)
InChIKeyVVLYGOSWMBXLMD-UHFFFAOYSA-N
MW495.54 g/mol
LogP4.64
Rot. Bonds9

About N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide

N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 118755297) has the molecular formula C28H25N5O4 and a molecular weight of 495.54 g/mol. Its IUPAC name is N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID118755297
Molecular FormulaC28H25N5O4
Molecular Weight495.54 g/mol
Exact Mass495.19
IUPAC NameN-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1oc(-c2ccccc2NC(=O)CCOc2ccccc2)nc1CNC(=O)c1cn2ccccc2n1
InChIInChI=1S/C28H25N5O4/c1-19-23(17-29-27(35)24-18-33-15-8-7-13-25(33)30-24)32-28(37-19)21-11-5-6-12-22(21)31-26(34)14-16-36-20-9-3-2-4-10-20/h2-13,15,18H,14,16-17H2,1H3,(H,29,35)(H,31,34)
InChIKeyVVLYGOSWMBXLMD-UHFFFAOYSA-N
XLogP4.64
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.54
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[5-methyl-4-[[(2-oxo-2-phenylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-phenoxypropanamide
CID 118758671
N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-phenylpropanamide
CID 45207389
methyl 4-[[5-methyl-2-[2-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methylamino]-4-oxobutanoate
CID 42455839
N-[[2-(2-acetamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-pyrazol-1-ylbenzamide
CID 42321965
N-(2-methoxyethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 51253266
N-methoxyimidazo[1,2-a]pyridine-2-carboxamide
CID 60716999
N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenoxypropanamide
CID 110358500
N-[(2,4,6-trimethylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051271
(3R)-3-methyl-N-[[5-methyl-2-[2-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]pentanamide
CID 42407808
N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2-(4-phenylphenoxy)acetamide
CID 121148988
N-[(2,5-dimethoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051264
N-(2-methylphenyl)-3-phenoxypropanamide
CID 725619

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 118755297) is N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide is Cc1oc(-c2ccccc2NC(=O)CCOc2ccccc2)nc1CNC(=O)c1cn2ccccc2n1.
What is the InChIKey of N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is VVLYGOSWMBXLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O4/c1-19-23(17-29-27(35)24-18-33-15-8-7-13-25(33)30-24)32-28(37-19)21-11-5-6-12-22(21)31-26(34)14-16-36-20-9-3-2-4-10-20/h2-13,15,18H,14,16-17H2,1H3,(H,29,35)(H,31,34).
What are the key properties of N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 495.54 g/mol, XLogP of 4.64, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 118755297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).