N-[1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine

C19H22N4O — CID 58024842

IUPACN-[1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
SMILESCc1nc(CN2CCC(Nc3cccc4cnccc34)C2)c(C)o1
InChIInChI=1S/C19H22N4O/c1-13-19(21-14(2)24-13)12-23-9-7-16(11-23)22-18-5-3-4-15-10-20-8-6-17(15)18/h3-6,8,10,16,22H,7,9,11-12H2,1-2H3
InChIKeyZFAOZOAVISJGAO-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.53
Rot. Bonds4

About N-[1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine

N-[1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine (PubChem CID 58024842) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine.

Molecular Properties

Compound NameN-[1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
PubChem CID58024842
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
SMILESCc1nc(CN2CCC(Nc3cccc4cnccc34)C2)c(C)o1
InChIInChI=1S/C19H22N4O/c1-13-19(21-14(2)24-13)12-23-9-7-16(11-23)22-18-5-3-4-15-10-20-8-6-17(15)18/h3-6,8,10,16,22H,7,9,11-12H2,1-2H3
InChIKeyZFAOZOAVISJGAO-UHFFFAOYSA-N
XLogP3.53
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine?
The IUPAC name of N-[1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine (CID 58024842) is N-[1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine.
What is the SMILES notation for N-[1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine?
The canonical SMILES for N-[1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine is Cc1nc(CN2CCC(Nc3cccc4cnccc34)C2)c(C)o1.
What is the InChIKey of N-[1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine?
The InChIKey is ZFAOZOAVISJGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-19(21-14(2)24-13)12-23-9-7-16(11-23)22-18-5-3-4-15-10-20-8-6-17(15)18/h3-6,8,10,16,22H,7,9,11-12H2,1-2H3.
What are the key properties of N-[1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine?
N-[1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine has a molecular weight of 322.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine is sourced from PubChem (CID 58024842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).