tert-butyl 4-(6-fluoro-7-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carboxylate;ethane

C20H29FN2O4 — CID 142164386

IUPACtert-butyl 4-(6-fluoro-7-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carboxylate;ethane
SMILESCC.COc1c(F)ccc2c(C3CCN(C(=O)OC(C)(C)C)CC3)noc12
InChIInChI=1S/C18H23FN2O4.C2H6/c1-18(2,3)24-17(22)21-9-7-11(8-10-21)14-12-5-6-13(19)16(23-4)15(12)25-20-14;1-2/h5-6,11H,7-10H2,1-4H3;1-2H3
InChIKeyKGMXSTYFUISGKW-UHFFFAOYSA-N
MW380.46 g/mol
LogP5.12
Rot. Bonds2

About tert-butyl 4-(6-fluoro-7-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carboxylate;ethane

tert-butyl 4-(6-fluoro-7-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carboxylate;ethane (PubChem CID 142164386) has the molecular formula C20H29FN2O4 and a molecular weight of 380.46 g/mol. Its IUPAC name is tert-butyl 4-(6-fluoro-7-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 4-(6-fluoro-7-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carboxylate;ethane
PubChem CID142164386
Molecular FormulaC20H29FN2O4
Molecular Weight380.46 g/mol
Exact Mass380.21
IUPAC Nametert-butyl 4-(6-fluoro-7-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carboxylate;ethane
SMILESCC.COc1c(F)ccc2c(C3CCN(C(=O)OC(C)(C)C)CC3)noc12
InChIInChI=1S/C18H23FN2O4.C2H6/c1-18(2,3)24-17(22)21-9-7-11(8-10-21)14-12-5-6-13(19)16(23-4)15(12)25-20-14;1-2/h5-6,11H,7-10H2,1-4H3;1-2H3
InChIKeyKGMXSTYFUISGKW-UHFFFAOYSA-N
XLogP5.12
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.46
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-(6-fluoro-7-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carboxylate;ethane with MolForge

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Related Compounds

tert-butyl 4-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperidine-1-carboxylate;3-piperidin-4-yl-7-(trifluoromethyl)-1,2-benzoxazole;hydrochloride
CID 161086439
tert-butyl 4-[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperidine-1-carboxylate
CID 58817530
tert-butyl 4-(2,4-difluoro-3-methoxyphenyl)piperazine-1-carboxylate
CID 176811217
tert-butyl 4-(3-amino-6-chloro-5-fluoro-2-pyridinyl)piperidine-1-carboxylate
CID 87246879
6-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 171922181
tert-butyl 4-(2,3-difluoro-6-hydroxyphenyl)piperidine-1-carboxylate
CID 58149951
tert-butyl 4-(2,3-difluoro-6-methylphenyl)piperidine-1-carboxylate
CID 58149940
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-(2,4,6-trichlorophenyl)-1,2-oxazole-4-carboxylic acid
CID 130307042
tert-butyl 4-[3-(6,7-difluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 142718934
tert-butyl 4-(2-fluoro-6-hydroxyphenyl)piperidine-1-carboxylate
CID 53485826
tert-butyl (3R)-3-(2,3,6-trifluorophenyl)pyrrolidine-1-carboxylate
CID 174955976
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-fluoro-7-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 4-(6-fluoro-7-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carboxylate;ethane (CID 142164386) is tert-butyl 4-(6-fluoro-7-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 4-(6-fluoro-7-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 4-(6-fluoro-7-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carboxylate;ethane is CC.COc1c(F)ccc2c(C3CCN(C(=O)OC(C)(C)C)CC3)noc12.
What is the InChIKey of tert-butyl 4-(6-fluoro-7-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carboxylate;ethane?
The InChIKey is KGMXSTYFUISGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O4.C2H6/c1-18(2,3)24-17(22)21-9-7-11(8-10-21)14-12-5-6-13(19)16(23-4)15(12)25-20-14;1-2/h5-6,11H,7-10H2,1-4H3;1-2H3.
What are the key properties of tert-butyl 4-(6-fluoro-7-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carboxylate;ethane?
tert-butyl 4-(6-fluoro-7-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carboxylate;ethane has a molecular weight of 380.46 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-fluoro-7-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carboxylate;ethane is sourced from PubChem (CID 142164386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).