tert-butyl N-[1-(4-methoxyphenyl)-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate

C18H25N3O5 — CID 137280112

IUPACtert-butyl N-[1-(4-methoxyphenyl)-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate
SMILESCOc1ccc(CC(CCc2noc(=O)[nH]2)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C18H25N3O5/c1-18(2,3)25-16(22)19-13(7-10-15-20-17(23)26-21-15)11-12-5-8-14(24-4)9-6-12/h5-6,8-9,13H,7,10-11H2,1-4H3,(H,19,22)(H,20,21,23)
InChIKeyRYGXEGCKPRPIIR-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.44
Rot. Bonds7

About tert-butyl N-[1-(4-methoxyphenyl)-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate

tert-butyl N-[1-(4-methoxyphenyl)-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate (PubChem CID 137280112) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is tert-butyl N-[1-(4-methoxyphenyl)-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-methoxyphenyl)-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate
PubChem CID137280112
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Nametert-butyl N-[1-(4-methoxyphenyl)-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate
SMILESCOc1ccc(CC(CCc2noc(=O)[nH]2)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C18H25N3O5/c1-18(2,3)25-16(22)19-13(7-10-15-20-17(23)26-21-15)11-12-5-8-14(24-4)9-6-12/h5-6,8-9,13H,7,10-11H2,1-4H3,(H,19,22)(H,20,21,23)
InChIKeyRYGXEGCKPRPIIR-UHFFFAOYSA-N
XLogP2.44
TPSA106.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-(4-methoxyphenyl)-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate with MolForge

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Related Compounds

(3S)-4-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 14410547
tert-butyl N-[1-(4-methoxyphenyl)-4-oxobutan-2-yl]carbamate
CID 73030796
tert-butyl N-[1-cyano-3-(4-methoxyphenyl)propan-2-yl]carbamate
CID 135255227
methyl (3S)-4-[4-(4-methoxyphenyl)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 101408029
tert-butyl N-[6-(4-methoxyphenyl)-4-oxo-1-phenylhexan-2-yl]carbamate
CID 175048380
tert-butyl N-[(3R)-2,4-dimethyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pentan-3-yl]carbamate
CID 138719909
tert-butyl N-[1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 140888192
tert-butyl N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]carbamate
CID 131748686
tert-butyl N-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)-5-nitropentan-2-yl]carbamate
CID 11648449
tert-butyl N-(1,6-diphenylhexan-2-yl)carbamate
CID 57094161
tert-butyl N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate
CID 139026733
ethyl 2-[3-[(1S)-2-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-oxadiazol-5-yl]acetate
CID 135255098

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-methoxyphenyl)-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-methoxyphenyl)-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate (CID 137280112) is tert-butyl N-[1-(4-methoxyphenyl)-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-methoxyphenyl)-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-methoxyphenyl)-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate is COc1ccc(CC(CCc2noc(=O)[nH]2)NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[1-(4-methoxyphenyl)-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate?
The InChIKey is RYGXEGCKPRPIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-18(2,3)25-16(22)19-13(7-10-15-20-17(23)26-21-15)11-12-5-8-14(24-4)9-6-12/h5-6,8-9,13H,7,10-11H2,1-4H3,(H,19,22)(H,20,21,23).
What are the key properties of tert-butyl N-[1-(4-methoxyphenyl)-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate?
tert-butyl N-[1-(4-methoxyphenyl)-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate has a molecular weight of 363.41 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-methoxyphenyl)-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate is sourced from PubChem (CID 137280112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).