tert-butyl N-[4-fluoro-2-[[4-(1,3-oxazol-2-yl)phenoxy]methyl]butyl]carbamate

C19H25FN2O4 — CID 153384717

IUPACtert-butyl N-[4-fluoro-2-[[4-(1,3-oxazol-2-yl)phenoxy]methyl]butyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(CCF)COc1ccc(-c2ncco2)cc1
InChIInChI=1S/C19H25FN2O4/c1-19(2,3)26-18(23)22-12-14(8-9-20)13-25-16-6-4-15(5-7-16)17-21-10-11-24-17/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,22,23)
InChIKeyJOPIEHUXVNYLEW-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.22
Rot. Bonds8

About tert-butyl N-[4-fluoro-2-[[4-(1,3-oxazol-2-yl)phenoxy]methyl]butyl]carbamate

tert-butyl N-[4-fluoro-2-[[4-(1,3-oxazol-2-yl)phenoxy]methyl]butyl]carbamate (PubChem CID 153384717) has the molecular formula C19H25FN2O4 and a molecular weight of 364.42 g/mol. Its IUPAC name is tert-butyl N-[4-fluoro-2-[[4-(1,3-oxazol-2-yl)phenoxy]methyl]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-fluoro-2-[[4-(1,3-oxazol-2-yl)phenoxy]methyl]butyl]carbamate
PubChem CID153384717
Molecular FormulaC19H25FN2O4
Molecular Weight364.42 g/mol
Exact Mass364.18
IUPAC Nametert-butyl N-[4-fluoro-2-[[4-(1,3-oxazol-2-yl)phenoxy]methyl]butyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(CCF)COc1ccc(-c2ncco2)cc1
InChIInChI=1S/C19H25FN2O4/c1-19(2,3)26-18(23)22-12-14(8-9-20)13-25-16-6-4-15(5-7-16)17-21-10-11-24-17/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,22,23)
InChIKeyJOPIEHUXVNYLEW-UHFFFAOYSA-N
XLogP4.22
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[4-fluoro-2-[[4-(1,3-oxazol-2-yl)phenoxy]methyl]butyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-[[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide
CID 134226781
[(2S)-1-[[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]urea
CID 134226787
3-(Methyl-{3-[4-(4-oxazol-2-yl-phenoxy)-phenoxy]-propyl}-amino)-propionic acid
CID 9822092
(R)-2-(2-(4-(oxazol-5-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 9858464
2-{4-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenoxy]-phenyl}-oxazole
CID 9884772
(R)-2-(2-(4-(oxazol-2-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 10193354
8-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methyl-2-oxooctanamide
CID 44349697
N-[(2R)-1-[[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide
CID 134226826
(E)-3-fluoro-2-[[4-(4-methyl-1,3-oxazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512022
(Z)-3-fluoro-2-[[4-(4-methyl-1,3-oxazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
CID 162369031
2-(4-Methoxyphenyl)oxazole
CID 14931773
N-hydroxy-7-[2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]heptanamide
CID 44349795

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-fluoro-2-[[4-(1,3-oxazol-2-yl)phenoxy]methyl]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-fluoro-2-[[4-(1,3-oxazol-2-yl)phenoxy]methyl]butyl]carbamate (CID 153384717) is tert-butyl N-[4-fluoro-2-[[4-(1,3-oxazol-2-yl)phenoxy]methyl]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-fluoro-2-[[4-(1,3-oxazol-2-yl)phenoxy]methyl]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-fluoro-2-[[4-(1,3-oxazol-2-yl)phenoxy]methyl]butyl]carbamate is CC(C)(C)OC(=O)NCC(CCF)COc1ccc(-c2ncco2)cc1.
What is the InChIKey of tert-butyl N-[4-fluoro-2-[[4-(1,3-oxazol-2-yl)phenoxy]methyl]butyl]carbamate?
The InChIKey is JOPIEHUXVNYLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O4/c1-19(2,3)26-18(23)22-12-14(8-9-20)13-25-16-6-4-15(5-7-16)17-21-10-11-24-17/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,22,23).
What are the key properties of tert-butyl N-[4-fluoro-2-[[4-(1,3-oxazol-2-yl)phenoxy]methyl]butyl]carbamate?
tert-butyl N-[4-fluoro-2-[[4-(1,3-oxazol-2-yl)phenoxy]methyl]butyl]carbamate has a molecular weight of 364.42 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-fluoro-2-[[4-(1,3-oxazol-2-yl)phenoxy]methyl]butyl]carbamate is sourced from PubChem (CID 153384717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).