N-(1,3-benzoxazol-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C16H23N3O — CID 106615684

IUPACN-(1,3-benzoxazol-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCCN(Cc1nc2ccccc2o1)CC1CCCN1
InChIInChI=1S/C16H23N3O/c1-2-10-19(11-13-6-5-9-17-13)12-16-18-14-7-3-4-8-15(14)20-16/h3-4,7-8,13,17H,2,5-6,9-12H2,1H3
InChIKeyPAIYHABMCZYANA-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.79
Rot. Bonds6

About N-(1,3-benzoxazol-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine

N-(1,3-benzoxazol-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106615684) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106615684
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(1,3-benzoxazol-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCCN(Cc1nc2ccccc2o1)CC1CCCN1
InChIInChI=1S/C16H23N3O/c1-2-10-19(11-13-6-5-9-17-13)12-16-18-14-7-3-4-8-15(14)20-16/h3-4,7-8,13,17H,2,5-6,9-12H2,1H3
InChIKeyPAIYHABMCZYANA-UHFFFAOYSA-N
XLogP2.79
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106631464
2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 61372127
N-(1,3-benzoxazol-2-ylmethyl)-N-propylpiperidin-3-amine
CID 63637335
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1,3-benzoxazol-2-amine
CID 106620694
N-(1,3-benzothiazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635789
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615842
2-(2-piperidin-2-ylethyl)-1,3-benzoxazole
CID 62217382
N-(piperidin-2-ylmethyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 106636093
N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,3-benzoxazol-2-amine
CID 106641412
N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 106603791
N-(1,2-oxazol-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635999
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106636121

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106615684) is N-(1,3-benzoxazol-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(1,3-benzoxazol-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-(1,3-benzoxazol-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine is CCCN(Cc1nc2ccccc2o1)CC1CCCN1.
What is the InChIKey of N-(1,3-benzoxazol-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is PAIYHABMCZYANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-10-19(11-13-6-5-9-17-13)12-16-18-14-7-3-4-8-15(14)20-16/h3-4,7-8,13,17H,2,5-6,9-12H2,1H3.
What are the key properties of N-(1,3-benzoxazol-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
N-(1,3-benzoxazol-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106615684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).