2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-benzoxazol-6-amine

C15H22N4O — CID 79893232

IUPAC2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-benzoxazol-6-amine
SMILESCCN(CC)C1CCN(c2nc3ccc(N)cc3o2)C1
InChIInChI=1S/C15H22N4O/c1-3-18(4-2)12-7-8-19(10-12)15-17-13-6-5-11(16)9-14(13)20-15/h5-6,9,12H,3-4,7-8,10,16H2,1-2H3
InChIKeyJQPGNVIUDXWISS-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.33
Rot. Bonds4

About 2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-benzoxazol-6-amine

2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-benzoxazol-6-amine (PubChem CID 79893232) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-benzoxazol-6-amine
PubChem CID79893232
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-benzoxazol-6-amine
SMILESCCN(CC)C1CCN(c2nc3ccc(N)cc3o2)C1
InChIInChI=1S/C15H22N4O/c1-3-18(4-2)12-7-8-19(10-12)15-17-13-6-5-11(16)9-14(13)20-15/h5-6,9,12H,3-4,7-8,10,16H2,1-2H3
InChIKeyJQPGNVIUDXWISS-UHFFFAOYSA-N
XLogP2.33
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylpyrrolidin-1-yl)-1,3-benzoxazol-6-amine
CID 79893410
[1-(6-amino-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol
CID 79890926
2-(azepan-1-yl)-1,3-benzoxazol-6-amine
CID 79891137
1-(3-aminophenyl)-N,N-diethylpyrrolidin-3-amine
CID 63168616
2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-benzoxazol-6-amine
CID 79893228
2-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-benzoxazole-6-carboxylic acid
CID 116691253
2-(3-azaspiro[5.5]undecan-3-yl)-1,3-benzoxazol-6-amine
CID 79882584
2-(4-propylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890054
6-[3-(diethylamino)pyrrolidin-1-yl]pyridin-3-amine
CID 55158197
1-(3-amino-5-methylphenyl)-N,N-diethylpyrrolidin-3-amine
CID 112647755
1-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidin-3-amine
CID 83842622
4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80827694

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-benzoxazol-6-amine?
The IUPAC name of 2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-benzoxazol-6-amine (CID 79893232) is 2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-benzoxazol-6-amine is CCN(CC)C1CCN(c2nc3ccc(N)cc3o2)C1.
What is the InChIKey of 2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-benzoxazol-6-amine?
The InChIKey is JQPGNVIUDXWISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-18(4-2)12-7-8-19(10-12)15-17-13-6-5-11(16)9-14(13)20-15/h5-6,9,12H,3-4,7-8,10,16H2,1-2H3.
What are the key properties of 2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-benzoxazol-6-amine?
2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-benzoxazol-6-amine has a molecular weight of 274.37 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-benzoxazol-6-amine is sourced from PubChem (CID 79893232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).