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

C22H24N4O3 — CID 30548406

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C22H24N4O3/c1-15-19(16(2)29-25-15)14-28-20-8-4-3-7-18(20)22(27)24-17-9-10-21(23-13-17)26-11-5-6-12-26/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3,(H,24,27)
InChIKeyKZKIFWZQFNAMRO-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.12
Rot. Bonds6

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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide (PubChem CID 30548406) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
PubChem CID30548406
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C22H24N4O3/c1-15-19(16(2)29-25-15)14-28-20-8-4-3-7-18(20)22(27)24-17-9-10-21(23-13-17)26-11-5-6-12-26/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3,(H,24,27)
InChIKeyKZKIFWZQFNAMRO-UHFFFAOYSA-N
XLogP4.12
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 30832323
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
CID 35828889
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 35892647
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 36743406
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 35709469
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-imidazol-1-ylphenyl)benzamide
CID 37182358
3,5-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole-4-carboxamide
CID 37276422
2-[2-(dimethylamino)ethoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 55728637
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-piperidin-1-ylmethanone
CID 112788083
N-(3-bromophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 36900169
N-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 9465498
N-[4-(4-chloropyrazol-1-yl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 29097272

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide (CID 30548406) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide is Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(N2CCCC2)nc1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The InChIKey is KZKIFWZQFNAMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-19(16(2)29-25-15)14-28-20-8-4-3-7-18(20)22(27)24-17-9-10-21(23-13-17)26-11-5-6-12-26/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3,(H,24,27).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide has a molecular weight of 392.46 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 30548406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).