tert-butyl N-[4-fluoro-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]carbamate

C20H27FN4O4 — CID 56571419

IUPACtert-butyl N-[4-fluoro-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]carbamate
SMILESCCCc1noc(CCCC(=O)Nc2cc(F)ccc2NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C20H27FN4O4/c1-5-7-16-24-18(29-25-16)9-6-8-17(26)22-15-12-13(21)10-11-14(15)23-19(27)28-20(2,3)4/h10-12H,5-9H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyYESIWFMYNWDVHO-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.47
Rot. Bonds8

About tert-butyl N-[4-fluoro-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]carbamate

tert-butyl N-[4-fluoro-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]carbamate (PubChem CID 56571419) has the molecular formula C20H27FN4O4 and a molecular weight of 406.46 g/mol. Its IUPAC name is tert-butyl N-[4-fluoro-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-fluoro-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]carbamate
PubChem CID56571419
Molecular FormulaC20H27FN4O4
Molecular Weight406.46 g/mol
Exact Mass406.20
IUPAC Nametert-butyl N-[4-fluoro-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]carbamate
SMILESCCCc1noc(CCCC(=O)Nc2cc(F)ccc2NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C20H27FN4O4/c1-5-7-16-24-18(29-25-16)9-6-8-17(26)22-15-12-13(21)10-11-14(15)23-19(27)28-20(2,3)4/h10-12H,5-9H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyYESIWFMYNWDVHO-UHFFFAOYSA-N
XLogP4.47
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[4-fluoro-2-(propanoylamino)phenyl]carbamate
CID 56783735
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55821878
N-[4-(diethylamino)phenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 52667872
N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 51103920
methyl 3-(4-fluorophenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate
CID 55998018
N'-[2-(4-fluorophenoxy)propanoyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanehydrazide
CID 55822078
N-(2-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 47180517
N-(4-phenoxyphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55834700
(3-propyl-1,2,4-oxadiazol-5-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 55563241
tert-butyl N-(2,5-difluorophenyl)carbamate
CID 14690685
(2-fluorophenyl) 4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate
CID 87011668
2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid
CID 119223527

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-fluoro-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-fluoro-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]carbamate (CID 56571419) is tert-butyl N-[4-fluoro-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-fluoro-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-fluoro-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]carbamate is CCCc1noc(CCCC(=O)Nc2cc(F)ccc2NC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[4-fluoro-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]carbamate?
The InChIKey is YESIWFMYNWDVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O4/c1-5-7-16-24-18(29-25-16)9-6-8-17(26)22-15-12-13(21)10-11-14(15)23-19(27)28-20(2,3)4/h10-12H,5-9H2,1-4H3,(H,22,26)(H,23,27).
What are the key properties of tert-butyl N-[4-fluoro-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]carbamate?
tert-butyl N-[4-fluoro-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]carbamate has a molecular weight of 406.46 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-fluoro-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]carbamate is sourced from PubChem (CID 56571419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).