N-[4-(2-carbamoylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-yl]-3,4,5-trimethoxybenzamide

C25H22N4O6 — CID 175242349

IUPACN-[4-(2-carbamoylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2onc(-c3ccncc3)c2-c2ccccc2C(N)=O)cc(OC)c1OC
InChIInChI=1S/C25H22N4O6/c1-32-18-12-15(13-19(33-2)22(18)34-3)24(31)28-25-20(16-6-4-5-7-17(16)23(26)30)21(29-35-25)14-8-10-27-11-9-14/h4-13H,1-3H3,(H2,26,30)(H,28,31)
InChIKeyFKHRUKNYDYMHJI-UHFFFAOYSA-N
MW474.47 g/mol
LogP3.78
Rot. Bonds8

About N-[4-(2-carbamoylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-yl]-3,4,5-trimethoxybenzamide

N-[4-(2-carbamoylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-yl]-3,4,5-trimethoxybenzamide (PubChem CID 175242349) has the molecular formula C25H22N4O6 and a molecular weight of 474.47 g/mol. Its IUPAC name is N-[4-(2-carbamoylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(2-carbamoylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-yl]-3,4,5-trimethoxybenzamide
PubChem CID175242349
Molecular FormulaC25H22N4O6
Molecular Weight474.47 g/mol
Exact Mass474.15
IUPAC NameN-[4-(2-carbamoylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2onc(-c3ccncc3)c2-c2ccccc2C(N)=O)cc(OC)c1OC
InChIInChI=1S/C25H22N4O6/c1-32-18-12-15(13-19(33-2)22(18)34-3)24(31)28-25-20(16-6-4-5-7-17(16)23(26)30)21(29-35-25)14-8-10-27-11-9-14/h4-13H,1-3H3,(H2,26,30)(H,28,31)
InChIKeyFKHRUKNYDYMHJI-UHFFFAOYSA-N
XLogP3.78
TPSA138.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.47
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-pyridin-4-yl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,2-oxazol-4-yl]benzamide
CID 174473669
N-[4-(2-carbamoylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]-3,4-dimethoxybenzamide
CID 174473648
N-[4-(2-carbamoylphenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]-2-methylbenzamide
CID 174473651
N-[3-(4-methoxy-3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 46227183
3,4-dimethoxy-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330830
3,4,5-trimethoxy-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]benzamide
CID 113042222
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
5-[(4-methoxybenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
CID 142773953
3,4,5-trimethoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 990875
N-[3-(2-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 67197593
3,4,5-trimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
CID 113051733
3,4,5-trimethoxy-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318833

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbamoylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[4-(2-carbamoylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-yl]-3,4,5-trimethoxybenzamide (CID 175242349) is N-[4-(2-carbamoylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[4-(2-carbamoylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[4-(2-carbamoylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-yl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2onc(-c3ccncc3)c2-c2ccccc2C(N)=O)cc(OC)c1OC.
What is the InChIKey of N-[4-(2-carbamoylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is FKHRUKNYDYMHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O6/c1-32-18-12-15(13-19(33-2)22(18)34-3)24(31)28-25-20(16-6-4-5-7-17(16)23(26)30)21(29-35-25)14-8-10-27-11-9-14/h4-13H,1-3H3,(H2,26,30)(H,28,31).
What are the key properties of N-[4-(2-carbamoylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-yl]-3,4,5-trimethoxybenzamide?
N-[4-(2-carbamoylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 474.47 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-carbamoylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 175242349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).