N-[4-[2-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]-3-fluorophenyl]ethyl]-2-pyridinyl]acetamide

C23H26FN5O3 — CID 152719090

IUPACN-[4-[2-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]-3-fluorophenyl]ethyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(CCc2ccc(NC(=O)Nc3cc(C(C)(C)C)no3)c(F)c2)ccn1
InChIInChI=1S/C23H26FN5O3/c1-14(30)26-20-12-16(9-10-25-20)6-5-15-7-8-18(17(24)11-15)27-22(31)28-21-13-19(29-32-21)23(2,3)4/h7-13H,5-6H2,1-4H3,(H,25,26,30)(H2,27,28,31)
InChIKeyZVFTURMKIGFAFV-UHFFFAOYSA-N
MW439.49 g/mol
LogP4.89
Rot. Bonds6

About N-[4-[2-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]-3-fluorophenyl]ethyl]-2-pyridinyl]acetamide

N-[4-[2-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]-3-fluorophenyl]ethyl]-2-pyridinyl]acetamide (PubChem CID 152719090) has the molecular formula C23H26FN5O3 and a molecular weight of 439.49 g/mol. Its IUPAC name is N-[4-[2-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]-3-fluorophenyl]ethyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]-3-fluorophenyl]ethyl]-2-pyridinyl]acetamide
PubChem CID152719090
Molecular FormulaC23H26FN5O3
Molecular Weight439.49 g/mol
Exact Mass439.20
IUPAC NameN-[4-[2-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]-3-fluorophenyl]ethyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(CCc2ccc(NC(=O)Nc3cc(C(C)(C)C)no3)c(F)c2)ccn1
InChIInChI=1S/C23H26FN5O3/c1-14(30)26-20-12-16(9-10-25-20)6-5-15-7-8-18(17(24)11-15)27-22(31)28-21-13-19(29-32-21)23(2,3)4/h7-13H,5-6H2,1-4H3,(H,25,26,30)(H2,27,28,31)
InChIKeyZVFTURMKIGFAFV-UHFFFAOYSA-N
XLogP4.89
TPSA109.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]-3-fluorophenyl]ethyl]-2-pyridinyl]acetamide with MolForge

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Related Compounds

N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-methylphenyl)acetamide
CID 11625524
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidine-2-carboxamide
CID 67953431
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[2-fluoro-5-[7-(methylamino)-2-oxo-1-[(3S)-oxolan-3-yl]-1,6-naphthyridin-3-yl]phenyl]urea
CID 122177477
6-cyclopropyl-N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329883
1-(5-Tert-butylisoxazol-3-yl)-3-(4-(pyridin-4-ylmethyl)phenyl)urea
CID 9950282
3-(4-Fluorophenyl)-5-(phenylacetylamino)-4-(4-pyrimidinyl)isoxazole
CID 57467724
2-(2-fluorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67197758
N-[3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 67198791
1-(3-Tert-butyl-1,2-oxazol-5-yl)-3-[5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluorophenyl]urea
CID 69037249
N-(4-(3-(4-fluorophenyl)-5-isopropylisoxazol-4-yl)pyridin-2-yl)acetamide
CID 24901423
N-(4-tert-butylphenyl)-3-methyl-5-(pyridin-4-ylmethylamino)isoxazole-4-carboxamide
CID 44439506
2-(4-fluorophenyl)-N-(4-(3-(4-fluorophenyl)-5-isopropylisoxazol-4-yl)pyridin-2-yl)acetamide
CID 44597113

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]-3-fluorophenyl]ethyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]-3-fluorophenyl]ethyl]-2-pyridinyl]acetamide (CID 152719090) is N-[4-[2-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]-3-fluorophenyl]ethyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]-3-fluorophenyl]ethyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]-3-fluorophenyl]ethyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(CCc2ccc(NC(=O)Nc3cc(C(C)(C)C)no3)c(F)c2)ccn1.
What is the InChIKey of N-[4-[2-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]-3-fluorophenyl]ethyl]-2-pyridinyl]acetamide?
The InChIKey is ZVFTURMKIGFAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O3/c1-14(30)26-20-12-16(9-10-25-20)6-5-15-7-8-18(17(24)11-15)27-22(31)28-21-13-19(29-32-21)23(2,3)4/h7-13H,5-6H2,1-4H3,(H,25,26,30)(H2,27,28,31).
What are the key properties of N-[4-[2-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]-3-fluorophenyl]ethyl]-2-pyridinyl]acetamide?
N-[4-[2-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]-3-fluorophenyl]ethyl]-2-pyridinyl]acetamide has a molecular weight of 439.49 g/mol, XLogP of 4.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]-3-fluorophenyl]ethyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 152719090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).