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

C14H19N3O — CID 63759489

IUPAC3-[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]propan-1-amine
SMILESNCCCC1CCCN1c1nc2ccccc2o1
InChIInChI=1S/C14H19N3O/c15-9-3-5-11-6-4-10-17(11)14-16-12-7-1-2-8-13(12)18-14/h1-2,7-8,11H,3-6,9-10,15H2
InChIKeyUCXGLMAICPBDMI-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.54
Rot. Bonds4

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

3-[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]propan-1-amine (PubChem CID 63759489) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]propan-1-amine
PubChem CID63759489
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]propan-1-amine
SMILESNCCCC1CCCN1c1nc2ccccc2o1
InChIInChI=1S/C14H19N3O/c15-9-3-5-11-6-4-10-17(11)14-16-12-7-1-2-8-13(12)18-14/h1-2,7-8,11H,3-6,9-10,15H2
InChIKeyUCXGLMAICPBDMI-UHFFFAOYSA-N
XLogP2.54
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methanol
CID 22220871
[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl formate
CID 23397359
2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-1,3-benzoxazole
CID 95343281
2-[2-(2-chloropropyl)piperidin-1-yl]-1,3-benzoxazole
CID 112748225
2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-1,3-benzoxazole
CID 95289224
1-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-phenylurea
CID 90619144
(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid
CID 93429227
N-[[1-(1,3-benzoxazol-2-yl)piperidin-2-yl]methyl]-2-methoxyethanamine
CID 62585619
N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-ethoxyacetamide
CID 90618857
N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2,4-difluorobenzenesulfonamide
CID 90619265
N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-4-sulfamoylbenzamide
CID 90619044
methyl 2-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methylsulfamoyl]acetate
CID 90619298

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]propan-1-amine?
The IUPAC name of 3-[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]propan-1-amine (CID 63759489) is 3-[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]propan-1-amine?
The canonical SMILES for 3-[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]propan-1-amine is NCCCC1CCCN1c1nc2ccccc2o1.
What is the InChIKey of 3-[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]propan-1-amine?
The InChIKey is UCXGLMAICPBDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-9-3-5-11-6-4-10-17(11)14-16-12-7-1-2-8-13(12)18-14/h1-2,7-8,11H,3-6,9-10,15H2.
What are the key properties of 3-[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]propan-1-amine?
3-[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]propan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]propan-1-amine is sourced from PubChem (CID 63759489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).