1-(2-bromophenyl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine

C14H16BrN3O — CID 119160309

IUPAC1-(2-bromophenyl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine
SMILESBrc1ccccc1N1CCC(NCc2cocn2)C1
InChIInChI=1S/C14H16BrN3O/c15-13-3-1-2-4-14(13)18-6-5-11(8-18)16-7-12-9-19-10-17-12/h1-4,9-11,16H,5-8H2
InChIKeyGGMYREHVTYXTIB-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.81
Rot. Bonds4

About 1-(2-bromophenyl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine

1-(2-bromophenyl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine (PubChem CID 119160309) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine
PubChem CID119160309
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name1-(2-bromophenyl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine
SMILESBrc1ccccc1N1CCC(NCc2cocn2)C1
InChIInChI=1S/C14H16BrN3O/c15-13-3-1-2-4-14(13)18-6-5-11(8-18)16-7-12-9-19-10-17-12/h1-4,9-11,16H,5-8H2
InChIKeyGGMYREHVTYXTIB-UHFFFAOYSA-N
XLogP2.81
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of 1-(2-bromophenyl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine (CID 119160309) is 1-(2-bromophenyl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(2-bromophenyl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(2-bromophenyl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine is Brc1ccccc1N1CCC(NCc2cocn2)C1.
What is the InChIKey of 1-(2-bromophenyl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine?
The InChIKey is GGMYREHVTYXTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c15-13-3-1-2-4-14(13)18-6-5-11(8-18)16-7-12-9-19-10-17-12/h1-4,9-11,16H,5-8H2.
What are the key properties of 1-(2-bromophenyl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine?
1-(2-bromophenyl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine has a molecular weight of 322.21 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 119160309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).