N-(3-amino-1,2-benzoxazol-6-yl)-2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetamide

C26H23FN4O5 — CID 71229782

IUPACN-(3-amino-1,2-benzoxazol-6-yl)-2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetamide
SMILESNc1noc2cc(NC(=O)C(O)c3cccc(-c4ccc(F)c(C(=O)N5CCOCC5)c4)c3)ccc12
InChIInChI=1S/C26H23FN4O5/c27-21-7-4-16(13-20(21)26(34)31-8-10-35-11-9-31)15-2-1-3-17(12-15)23(32)25(33)29-18-5-6-19-22(14-18)36-30-24(19)28/h1-7,12-14,23,32H,8-11H2,(H2,28,30)(H,29,33)
InChIKeyUZRVJYHJSUIXGZ-UHFFFAOYSA-N
MW490.49 g/mol
LogP3.36
Rot. Bonds5

About N-(3-amino-1,2-benzoxazol-6-yl)-2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetamide

N-(3-amino-1,2-benzoxazol-6-yl)-2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetamide (PubChem CID 71229782) has the molecular formula C26H23FN4O5 and a molecular weight of 490.49 g/mol. Its IUPAC name is N-(3-amino-1,2-benzoxazol-6-yl)-2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-(3-amino-1,2-benzoxazol-6-yl)-2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetamide
PubChem CID71229782
Molecular FormulaC26H23FN4O5
Molecular Weight490.49 g/mol
Exact Mass490.17
IUPAC NameN-(3-amino-1,2-benzoxazol-6-yl)-2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetamide
SMILESNc1noc2cc(NC(=O)C(O)c3cccc(-c4ccc(F)c(C(=O)N5CCOCC5)c4)c3)ccc12
InChIInChI=1S/C26H23FN4O5/c27-21-7-4-16(13-20(21)26(34)31-8-10-35-11-9-31)15-2-1-3-17(12-15)23(32)25(33)29-18-5-6-19-22(14-18)36-30-24(19)28/h1-7,12-14,23,32H,8-11H2,(H2,28,30)(H,29,33)
InChIKeyUZRVJYHJSUIXGZ-UHFFFAOYSA-N
XLogP3.36
TPSA130.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.49
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 136632544
N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetamide;ethane
CID 144508839
tert-butyl 2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetate
CID 122534917
[1-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-oxo-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]ethyl] acetate
CID 136629988
(2R)-N-(1-aminoisoquinolin-6-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 58290684
(2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-4-[3-(difluoromethoxy)-4-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 58290749
N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetamide
CID 144677567
(2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide
CID 58182102
N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(6-pyridazin-4-yl-2-pyridinyl)morpholin-2-yl]acetamide
CID 140697766
ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone
CID 145081702
N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-4-[6-(1,2-oxazol-4-yl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetamide
CID 140697751
tert-butyl N-[6-[[(2R)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetyl]amino]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 58290778

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-1,2-benzoxazol-6-yl)-2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetamide?
The IUPAC name of N-(3-amino-1,2-benzoxazol-6-yl)-2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetamide (CID 71229782) is N-(3-amino-1,2-benzoxazol-6-yl)-2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetamide.
What is the SMILES notation for N-(3-amino-1,2-benzoxazol-6-yl)-2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetamide?
The canonical SMILES for N-(3-amino-1,2-benzoxazol-6-yl)-2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetamide is Nc1noc2cc(NC(=O)C(O)c3cccc(-c4ccc(F)c(C(=O)N5CCOCC5)c4)c3)ccc12.
What is the InChIKey of N-(3-amino-1,2-benzoxazol-6-yl)-2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetamide?
The InChIKey is UZRVJYHJSUIXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O5/c27-21-7-4-16(13-20(21)26(34)31-8-10-35-11-9-31)15-2-1-3-17(12-15)23(32)25(33)29-18-5-6-19-22(14-18)36-30-24(19)28/h1-7,12-14,23,32H,8-11H2,(H2,28,30)(H,29,33).
What are the key properties of N-(3-amino-1,2-benzoxazol-6-yl)-2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetamide?
N-(3-amino-1,2-benzoxazol-6-yl)-2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetamide has a molecular weight of 490.49 g/mol, XLogP of 3.36, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-1,2-benzoxazol-6-yl)-2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetamide is sourced from PubChem (CID 71229782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).