tert-butyl N-[3-(1-fluoropentyl)-1,2-benzoxazol-6-yl]carbamate

C17H23FN2O3 — CID 134190155

IUPACtert-butyl N-[3-(1-fluoropentyl)-1,2-benzoxazol-6-yl]carbamate
SMILESCCCCC(F)c1noc2cc(NC(=O)OC(C)(C)C)ccc12
InChIInChI=1S/C17H23FN2O3/c1-5-6-7-13(18)15-12-9-8-11(10-14(12)23-20-15)19-16(21)22-17(2,3)4/h8-10,13H,5-7H2,1-4H3,(H,19,21)
InChIKeyFELUDZVAOIINFA-UHFFFAOYSA-N
MW322.38 g/mol
LogP5.38
Rot. Bonds5

About tert-butyl N-[3-(1-fluoropentyl)-1,2-benzoxazol-6-yl]carbamate

tert-butyl N-[3-(1-fluoropentyl)-1,2-benzoxazol-6-yl]carbamate (PubChem CID 134190155) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is tert-butyl N-[3-(1-fluoropentyl)-1,2-benzoxazol-6-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1-fluoropentyl)-1,2-benzoxazol-6-yl]carbamate
PubChem CID134190155
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Nametert-butyl N-[3-(1-fluoropentyl)-1,2-benzoxazol-6-yl]carbamate
SMILESCCCCC(F)c1noc2cc(NC(=O)OC(C)(C)C)ccc12
InChIInChI=1S/C17H23FN2O3/c1-5-6-7-13(18)15-12-9-8-11(10-14(12)23-20-15)19-16(21)22-17(2,3)4/h8-10,13H,5-7H2,1-4H3,(H,19,21)
InChIKeyFELUDZVAOIINFA-UHFFFAOYSA-N
XLogP5.38
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.38
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(5-chloro-1,2-benzoxazol-3-yl)carbamate
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tert-butyl N-[4-fluoro-3-(heptylamino)phenyl]carbamate
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tert-butyl N-[3-(diethylcarbamoyl)-1-benzofuran-6-yl]carbamate
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tert-butyl N-(5-formamido-1,2-benzoxazol-3-yl)carbamate
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tert-butyl N-[3-(difluoromethyl)-1-methylindazol-5-yl]carbamate
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CID 168609915
tert-butyl N-(4-butanoylphenyl)carbamate
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tert-butyl N-[4-(2,2-difluoroethyl)phenyl]carbamate
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tert-butyl N-(3-iodo-2H-indazol-5-yl)carbamate
CID 67453726
tert-butyl N-(6-nitro-1,2-benzoxazol-3-yl)carbamate
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tert-butyl N-[1-[methyl(diphenyl)silyl]pentyl]carbamate
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2-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 125456654

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1-fluoropentyl)-1,2-benzoxazol-6-yl]carbamate?
The IUPAC name of tert-butyl N-[3-(1-fluoropentyl)-1,2-benzoxazol-6-yl]carbamate (CID 134190155) is tert-butyl N-[3-(1-fluoropentyl)-1,2-benzoxazol-6-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1-fluoropentyl)-1,2-benzoxazol-6-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1-fluoropentyl)-1,2-benzoxazol-6-yl]carbamate is CCCCC(F)c1noc2cc(NC(=O)OC(C)(C)C)ccc12.
What is the InChIKey of tert-butyl N-[3-(1-fluoropentyl)-1,2-benzoxazol-6-yl]carbamate?
The InChIKey is FELUDZVAOIINFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-5-6-7-13(18)15-12-9-8-11(10-14(12)23-20-15)19-16(21)22-17(2,3)4/h8-10,13H,5-7H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl N-[3-(1-fluoropentyl)-1,2-benzoxazol-6-yl]carbamate?
tert-butyl N-[3-(1-fluoropentyl)-1,2-benzoxazol-6-yl]carbamate has a molecular weight of 322.38 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1-fluoropentyl)-1,2-benzoxazol-6-yl]carbamate is sourced from PubChem (CID 134190155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).