N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide

C19H18FN3O3 — CID 5275500

IUPACN-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C19H18FN3O3/c20-14-3-1-13(2-4-14)19-22-16-11-15(5-6-17(16)26-19)21-18(24)12-23-7-9-25-10-8-23/h1-6,11H,7-10,12H2,(H,21,24)
InChIKeyMRVBMNGKJHVYNS-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.90
Rot. Bonds4

About N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide

N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide (PubChem CID 5275500) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide
PubChem CID5275500
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC NameN-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C19H18FN3O3/c20-14-3-1-13(2-4-14)19-22-16-11-15(5-6-17(16)26-19)21-18(24)12-23-7-9-25-10-8-23/h1-6,11H,7-10,12H2,(H,21,24)
InChIKeyMRVBMNGKJHVYNS-UHFFFAOYSA-N
XLogP2.90
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide (CID 5275500) is N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide?
The InChIKey is MRVBMNGKJHVYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c20-14-3-1-13(2-4-14)19-22-16-11-15(5-6-17(16)26-19)21-18(24)12-23-7-9-25-10-8-23/h1-6,11H,7-10,12H2,(H,21,24).
What are the key properties of N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide?
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide has a molecular weight of 355.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 5275500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).