N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-amine

C13H17N3O — CID 55023477

IUPACN-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-amine
SMILESc1ccc2oc(NCCN3CCCC3)nc2c1
InChIInChI=1S/C13H17N3O/c1-2-6-12-11(5-1)15-13(17-12)14-7-10-16-8-3-4-9-16/h1-2,5-6H,3-4,7-10H2,(H,14,15)
InChIKeyIIKSUJKARJJFSA-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.34
Rot. Bonds4

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

N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-amine (PubChem CID 55023477) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-amine
PubChem CID55023477
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-amine
SMILESc1ccc2oc(NCCN3CCCC3)nc2c1
InChIInChI=1S/C13H17N3O/c1-2-6-12-11(5-1)15-13(17-12)14-7-10-16-8-3-4-9-16/h1-2,5-6H,3-4,7-10H2,(H,14,15)
InChIKeyIIKSUJKARJJFSA-UHFFFAOYSA-N
XLogP2.34
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-1,3-benzoxazol-2-amine
CID 584386
N'-(1,3-benzoxazol-2-yl)-N-cycloheptylethane-1,2-diamine
CID 115306743
2-(2-morpholin-4-ylethylamino)-1,3-benzoxazol-6-ol
CID 142742784
N'-(1,3-benzoxazol-2-yl)pentane-1,5-diamine
CID 107323559
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,3-benzoxazol-2-amine
CID 71879901
N-(4-chlorobutyl)-1,3-benzoxazol-2-amine
CID 106845081
2-(3-piperidin-1-ylpropyl)-1,3-benzoxazole
CID 139877726
N-(2-piperidin-1-ylethyl)acridin-9-amine
CID 4976664
N-[(1-methylcyclohexyl)methyl]-1,3-benzoxazol-2-amine
CID 114095046
2-N-(2-thiomorpholin-4-ylethyl)-1,3-benzoxazole-2,6-diamine
CID 106324737
N-(1,3-benzoxazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63318578
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1,3-benzoxazol-2-amine
CID 51120974

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-amine (CID 55023477) is N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-amine is c1ccc2oc(NCCN3CCCC3)nc2c1.
What is the InChIKey of N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-amine?
The InChIKey is IIKSUJKARJJFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-6-12-11(5-1)15-13(17-12)14-7-10-16-8-3-4-9-16/h1-2,5-6H,3-4,7-10H2,(H,14,15).
What are the key properties of N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-amine?
N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-amine has a molecular weight of 231.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 55023477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).