N-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C19H19ClFN3O2 — CID 119780639

IUPACN-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1
InChIInChI=1S/C19H18FN3O2.ClH/c20-13-5-3-12(4-6-13)19-23-16-8-7-15(10-17(16)25-19)22-18(24)11-14-2-1-9-21-14;/h3-8,10,14,21H,1-2,9,11H2,(H,22,24);1H
InChIKeyQXBQORHETISRFB-UHFFFAOYSA-N
MW375.83 g/mol
LogP4.14
Rot. Bonds4

About N-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119780639) has the molecular formula C19H19ClFN3O2 and a molecular weight of 375.83 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119780639
Molecular FormulaC19H19ClFN3O2
Molecular Weight375.83 g/mol
Exact Mass375.11
IUPAC NameN-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1
InChIInChI=1S/C19H18FN3O2.ClH/c20-13-5-3-12(4-6-13)19-23-16-8-7-15(10-17(16)25-19)22-18(24)11-14-2-1-9-21-14;/h3-8,10,14,21H,1-2,9,11H2,(H,22,24);1H
InChIKeyQXBQORHETISRFB-UHFFFAOYSA-N
XLogP4.14
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119780639) is N-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride is Cl.O=C(CC1CCCN1)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1.
What is the InChIKey of N-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is QXBQORHETISRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2.ClH/c20-13-5-3-12(4-6-13)19-23-16-8-7-15(10-17(16)25-19)22-18(24)11-14-2-1-9-21-14;/h3-8,10,14,21H,1-2,9,11H2,(H,22,24);1H.
What are the key properties of N-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 375.83 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119780639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).