4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methoxy-3-pyridinyl)benzamide

C20H21N3O5 — CID 2092236

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(OCc3c(C)noc3C)c(OC)c2)cn1
InChIInChI=1S/C20H21N3O5/c1-12-16(13(2)28-23-12)11-27-17-7-5-14(9-18(17)25-3)20(24)22-15-6-8-19(26-4)21-10-15/h5-10H,11H2,1-4H3,(H,22,24)
InChIKeyLNCUARDABMIVRA-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.53
Rot. Bonds7

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methoxy-3-pyridinyl)benzamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methoxy-3-pyridinyl)benzamide (PubChem CID 2092236) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methoxy-3-pyridinyl)benzamide
PubChem CID2092236
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(OCc3c(C)noc3C)c(OC)c2)cn1
InChIInChI=1S/C20H21N3O5/c1-12-16(13(2)28-23-12)11-27-17-7-5-14(9-18(17)25-3)20(24)22-15-6-8-19(26-4)21-10-15/h5-10H,11H2,1-4H3,(H,22,24)
InChIKeyLNCUARDABMIVRA-UHFFFAOYSA-N
XLogP3.53
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methoxy-3-pyridinyl)benzamide with MolForge

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Related Compounds

ML381
CID 42519285
3,4,5-trimethoxy-N-3-pyridylbenzamide
CID 678080
5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)isoxazole-3-carboxamide
CID 3239565
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-methyl-2-pyridinyl)benzamide
CID 16351001
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-morpholin-4-ylphenyl)benzamide
CID 2677655
5-(2-methoxyphenyl)-N-pyridin-3-ylisoxazole-3-carboxamide
CID 3236616
3-cyclopentyloxy-4-methoxy-N-pyridin-3-yl-benzamide
CID 10041212
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 57944907
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3,4-dimethoxybenzamide
CID 57945017
3,4,5-triethoxy-N-pyridin-3-ylbenzamide
CID 780282
6-[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-isopropyl-nicotinamide
CID 42629329
N-Isopropyl-6-(5-methyl-3-pyridin-2-yl-isoxazol-4-ylmethoxy)-nicotinamide
CID 42630166

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methoxy-3-pyridinyl)benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methoxy-3-pyridinyl)benzamide (CID 2092236) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methoxy-3-pyridinyl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methoxy-3-pyridinyl)benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methoxy-3-pyridinyl)benzamide is COc1ccc(NC(=O)c2ccc(OCc3c(C)noc3C)c(OC)c2)cn1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methoxy-3-pyridinyl)benzamide?
The InChIKey is LNCUARDABMIVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-12-16(13(2)28-23-12)11-27-17-7-5-14(9-18(17)25-3)20(24)22-15-6-8-19(26-4)21-10-15/h5-10H,11H2,1-4H3,(H,22,24).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methoxy-3-pyridinyl)benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methoxy-3-pyridinyl)benzamide has a molecular weight of 383.40 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 2092236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).