N',N'-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine

C18H26N4O — CID 24714737

IUPACN',N'-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
SMILESCN(C)CCNCc1c(-c2ccccc2)noc1N1CCCC1
InChIInChI=1S/C18H26N4O/c1-21(2)13-10-19-14-16-17(15-8-4-3-5-9-15)20-23-18(16)22-11-6-7-12-22/h3-5,8-9,19H,6-7,10-14H2,1-2H3
InChIKeyIBJDREZSQOGWLO-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.59
Rot. Bonds7

About N',N'-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine

N',N'-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 24714737) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID24714737
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN',N'-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
SMILESCN(C)CCNCc1c(-c2ccccc2)noc1N1CCCC1
InChIInChI=1S/C18H26N4O/c1-21(2)13-10-19-14-16-17(15-8-4-3-5-9-15)20-23-18(16)22-11-6-7-12-22/h3-5,8-9,19H,6-7,10-14H2,1-2H3
InChIKeyIBJDREZSQOGWLO-UHFFFAOYSA-N
XLogP2.59
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N',N'-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine with MolForge

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Related Compounds

1-phenyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]methanamine
CID 24718053
2-methoxy-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine
CID 24714924
N-[2-(dimethylamino)ethyl]-2-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 24719362
N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 46027790
N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 24719374
N-[2-(dimethylamino)ethyl]-3-methyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]butanamide
CID 42843712
1-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-1-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]thiourea
CID 42843750
N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylacetamide
CID 24719752
N-[2-(dimethylamino)ethyl]-3-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 46027793
N',N'-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethane-1,2-diamine
CID 43220494
1-(1,3-benzodioxol-5-yl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]methanamine
CID 46014698
N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]cyclopropanamine
CID 24714267

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine (CID 24714737) is N',N'-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine is CN(C)CCNCc1c(-c2ccccc2)noc1N1CCCC1.
What is the InChIKey of N',N'-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is IBJDREZSQOGWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-21(2)13-10-19-14-16-17(15-8-4-3-5-9-15)20-23-18(16)22-11-6-7-12-22/h3-5,8-9,19H,6-7,10-14H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 314.43 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 24714737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).