3-[4-[4-methoxy-2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2-oxazole-5-carboxamide

C22H23N3O3 — CID 68866081

IUPAC3-[4-[4-methoxy-2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(-c2ccc(-c3cc(C(N)=O)on3)cc2)c(CN2CCCC2)c1
InChIInChI=1S/C22H23N3O3/c1-27-18-8-9-19(17(12-18)14-25-10-2-3-11-25)15-4-6-16(7-5-15)20-13-21(22(23)26)28-24-20/h4-9,12-13H,2-3,10-11,14H2,1H3,(H2,23,26)
InChIKeyLRZUWRBJBAGDKQ-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.71
Rot. Bonds6

About 3-[4-[4-methoxy-2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2-oxazole-5-carboxamide

3-[4-[4-methoxy-2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 68866081) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-[4-[4-methoxy-2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[4-[4-methoxy-2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2-oxazole-5-carboxamide
PubChem CID68866081
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-[4-[4-methoxy-2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(-c2ccc(-c3cc(C(N)=O)on3)cc2)c(CN2CCCC2)c1
InChIInChI=1S/C22H23N3O3/c1-27-18-8-9-19(17(12-18)14-25-10-2-3-11-25)15-4-6-16(7-5-15)20-13-21(22(23)26)28-24-20/h4-9,12-13H,2-3,10-11,14H2,1H3,(H2,23,26)
InChIKeyLRZUWRBJBAGDKQ-UHFFFAOYSA-N
XLogP3.71
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide
CID 776499
3-[4-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 90202510
1-[[2-(4-chlorophenyl)-5-methoxyphenyl]methyl]piperidin-4-one
CID 91665640
3-(4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxamide
CID 68864303
3-(2-chloro-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117386929
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
CID 92628344
3-[2-methoxy-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide
CID 68866528
5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-3-(4-methoxyphenyl)-1,2-oxazole
CID 24617569
1-[(2-bromo-4-methoxyphenyl)methyl]pyrrolidine
CID 117220863
1-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]ethanone
CID 58236539
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 46974804
[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38429477

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-methoxy-2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[4-[4-methoxy-2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2-oxazole-5-carboxamide (CID 68866081) is 3-[4-[4-methoxy-2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[4-[4-methoxy-2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[4-[4-methoxy-2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2-oxazole-5-carboxamide is COc1ccc(-c2ccc(-c3cc(C(N)=O)on3)cc2)c(CN2CCCC2)c1.
What is the InChIKey of 3-[4-[4-methoxy-2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is LRZUWRBJBAGDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-27-18-8-9-19(17(12-18)14-25-10-2-3-11-25)15-4-6-16(7-5-15)20-13-21(22(23)26)28-24-20/h4-9,12-13H,2-3,10-11,14H2,1H3,(H2,23,26).
What are the key properties of 3-[4-[4-methoxy-2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2-oxazole-5-carboxamide?
3-[4-[4-methoxy-2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-methoxy-2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 68866081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).