tert-butyl 2-[[3-chloro-2-(2-methyl-1,3-oxazol-5-yl)phenyl]methyl]morpholine-4-carboxylate

C20H25ClN2O4 — CID 171773306

IUPACtert-butyl 2-[[3-chloro-2-(2-methyl-1,3-oxazol-5-yl)phenyl]methyl]morpholine-4-carboxylate
SMILESCc1ncc(-c2c(Cl)cccc2CC2CN(C(=O)OC(C)(C)C)CCO2)o1
InChIInChI=1S/C20H25ClN2O4/c1-13-22-11-17(26-13)18-14(6-5-7-16(18)21)10-15-12-23(8-9-25-15)19(24)27-20(2,3)4/h5-7,11,15H,8-10,12H2,1-4H3
InChIKeySNHMYHJHMSNWHC-UHFFFAOYSA-N
MW392.88 g/mol
LogP4.48
Rot. Bonds3

About tert-butyl 2-[[3-chloro-2-(2-methyl-1,3-oxazol-5-yl)phenyl]methyl]morpholine-4-carboxylate

tert-butyl 2-[[3-chloro-2-(2-methyl-1,3-oxazol-5-yl)phenyl]methyl]morpholine-4-carboxylate (PubChem CID 171773306) has the molecular formula C20H25ClN2O4 and a molecular weight of 392.88 g/mol. Its IUPAC name is tert-butyl 2-[[3-chloro-2-(2-methyl-1,3-oxazol-5-yl)phenyl]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[3-chloro-2-(2-methyl-1,3-oxazol-5-yl)phenyl]methyl]morpholine-4-carboxylate
PubChem CID171773306
Molecular FormulaC20H25ClN2O4
Molecular Weight392.88 g/mol
Exact Mass392.15
IUPAC Nametert-butyl 2-[[3-chloro-2-(2-methyl-1,3-oxazol-5-yl)phenyl]methyl]morpholine-4-carboxylate
SMILESCc1ncc(-c2c(Cl)cccc2CC2CN(C(=O)OC(C)(C)C)CCO2)o1
InChIInChI=1S/C20H25ClN2O4/c1-13-22-11-17(26-13)18-14(6-5-7-16(18)21)10-15-12-23(8-9-25-15)19(24)27-20(2,3)4/h5-7,11,15H,8-10,12H2,1-4H3
InChIKeySNHMYHJHMSNWHC-UHFFFAOYSA-N
XLogP4.48
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.88
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[[3-chloro-2-(2-methyl-1,3-oxazol-5-yl)phenyl]methyl]morpholine-4-carboxylate with MolForge

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Related Compounds

tert-butyl 2-[(2-hydroxyphenyl)methyl]morpholine-4-carboxylate
CID 77221533
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tert-butyl 2-[[2-(2-chloro-4-fluorophenoxy)-3-fluorophenyl]methyl]morpholine-4-carboxylate
CID 90946461
tert-butyl (2R)-2-[[3-(hydroxymethyl)phenyl]methyl]morpholine-4-carboxylate
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[5-chloro-3-methyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]methyl]phenyl]boronic acid
CID 151136506
tert-butyl 2-[(2-bromophenoxy)methyl]morpholine-4-carboxylate
CID 102567725
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
tert-butyl 2-[[3-chloro-4-[4-(difluoromethyl)piperidin-1-yl]phenyl]methyl]morpholine-4-carboxylate
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tert-butyl 2-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholine-4-carboxylate
CID 90966020
tert-butyl 2-[(benzylamino)methyl]morpholine-4-carboxylate
CID 24730238
tert-butyl 2-[(5-methyl-1,2-dihydropyridazin-3-yl)oxymethyl]morpholine-4-carboxylate;ethane
CID 171811078
tert-butyl 2-[[4-chloro-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine-4-carboxylate
CID 170961274

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[3-chloro-2-(2-methyl-1,3-oxazol-5-yl)phenyl]methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-[[3-chloro-2-(2-methyl-1,3-oxazol-5-yl)phenyl]methyl]morpholine-4-carboxylate (CID 171773306) is tert-butyl 2-[[3-chloro-2-(2-methyl-1,3-oxazol-5-yl)phenyl]methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[[3-chloro-2-(2-methyl-1,3-oxazol-5-yl)phenyl]methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-[[3-chloro-2-(2-methyl-1,3-oxazol-5-yl)phenyl]methyl]morpholine-4-carboxylate is Cc1ncc(-c2c(Cl)cccc2CC2CN(C(=O)OC(C)(C)C)CCO2)o1.
What is the InChIKey of tert-butyl 2-[[3-chloro-2-(2-methyl-1,3-oxazol-5-yl)phenyl]methyl]morpholine-4-carboxylate?
The InChIKey is SNHMYHJHMSNWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4/c1-13-22-11-17(26-13)18-14(6-5-7-16(18)21)10-15-12-23(8-9-25-15)19(24)27-20(2,3)4/h5-7,11,15H,8-10,12H2,1-4H3.
What are the key properties of tert-butyl 2-[[3-chloro-2-(2-methyl-1,3-oxazol-5-yl)phenyl]methyl]morpholine-4-carboxylate?
tert-butyl 2-[[3-chloro-2-(2-methyl-1,3-oxazol-5-yl)phenyl]methyl]morpholine-4-carboxylate has a molecular weight of 392.88 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[3-chloro-2-(2-methyl-1,3-oxazol-5-yl)phenyl]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 171773306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).