1-benzyl-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine

C22H25N3O2 — CID 56679054

IUPAC1-benzyl-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine
SMILESCOc1ccc(-c2nc(CNC3CCN(Cc4ccccc4)C3)co2)cc1
InChIInChI=1S/C22H25N3O2/c1-26-21-9-7-18(8-10-21)22-24-20(16-27-22)13-23-19-11-12-25(15-19)14-17-5-3-2-4-6-17/h2-10,16,19,23H,11-15H2,1H3
InChIKeySVAFDQPTUSVTQB-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.71
Rot. Bonds7

About 1-benzyl-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine

1-benzyl-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine (PubChem CID 56679054) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-benzyl-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine
PubChem CID56679054
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-benzyl-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine
SMILESCOc1ccc(-c2nc(CNC3CCN(Cc4ccccc4)C3)co2)cc1
InChIInChI=1S/C22H25N3O2/c1-26-21-9-7-18(8-10-21)22-24-20(16-27-22)13-23-19-11-12-25(15-19)14-17-5-3-2-4-6-17/h2-10,16,19,23H,11-15H2,1H3
InChIKeySVAFDQPTUSVTQB-UHFFFAOYSA-N
XLogP3.71
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[(4-methoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]pyrrolidin-3-amine
CID 142698472
1-benzyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine
CID 56662047
1-benzyl-N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine
CID 56682320
N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]benzamide
CID 43049757
N-benzyl-1-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-N-methylmethanamine
CID 56509250
1-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine
CID 61016801
1-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
CID 43223648
N-(1-benzylpiperidin-4-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 38548867
N-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 65288587
1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907388
1-benzyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 102673140
4-[[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]-2-phenyl-1,3-oxazole
CID 74235764

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine (CID 56679054) is 1-benzyl-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine is COc1ccc(-c2nc(CNC3CCN(Cc4ccccc4)C3)co2)cc1.
What is the InChIKey of 1-benzyl-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine?
The InChIKey is SVAFDQPTUSVTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-26-21-9-7-18(8-10-21)22-24-20(16-27-22)13-23-19-11-12-25(15-19)14-17-5-3-2-4-6-17/h2-10,16,19,23H,11-15H2,1H3.
What are the key properties of 1-benzyl-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine?
1-benzyl-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine has a molecular weight of 363.46 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 56679054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).