tert-butyl 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylate

C19H25N3O3 — CID 58097888

IUPACtert-butyl 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylate
SMILESCn1ccnc1-c1ccc(C2CN(C(=O)OC(C)(C)C)CCO2)cc1
InChIInChI=1S/C19H25N3O3/c1-19(2,3)25-18(23)22-11-12-24-16(13-22)14-5-7-15(8-6-14)17-20-9-10-21(17)4/h5-10,16H,11-13H2,1-4H3
InChIKeyLPEJFOMMXPHRJG-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.40
Rot. Bonds2

About tert-butyl 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylate

tert-butyl 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylate (PubChem CID 58097888) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is tert-butyl 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylate
PubChem CID58097888
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Nametert-butyl 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylate
SMILESCn1ccnc1-c1ccc(C2CN(C(=O)OC(C)(C)C)CCO2)cc1
InChIInChI=1S/C19H25N3O3/c1-19(2,3)25-18(23)22-11-12-24-16(13-22)14-5-7-15(8-6-14)17-20-9-10-21(17)4/h5-10,16H,11-13H2,1-4H3
InChIKeyLPEJFOMMXPHRJG-UHFFFAOYSA-N
XLogP3.40
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylic acid
CID 91591906
tert-butyl 2-phenylmorpholine-4-carboxylate
CID 58315777
tert-butyl 2-(1-hydroxypyridin-1-ium-4-yl)morpholine-4-carboxylate
CID 176950779
tert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate
CID 16737894
tert-butyl (2R)-2-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylate
CID 123673146
tert-butyl (2S)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine-4-carboxylate
CID 124635561
tert-butyl 2-(2-aminopyrimidin-4-yl)morpholine-4-carboxylate
CID 172992087
tert-butyl 2-(4-fluoro-3-hydroxyphenyl)morpholine-4-carboxylate
CID 171653389
tert-butyl (2R)-2-(4-deuterio-2-pyridinyl)morpholine-4-carboxylate
CID 176629684
CID 90054409
CID 90054409
tert-butyl 2-(5-bromo-3-methyl-2-pyridinyl)morpholine-4-carboxylate
CID 118485004
tert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate
CID 129322939

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylate (CID 58097888) is tert-butyl 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylate is Cn1ccnc1-c1ccc(C2CN(C(=O)OC(C)(C)C)CCO2)cc1.
What is the InChIKey of tert-butyl 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylate?
The InChIKey is LPEJFOMMXPHRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-19(2,3)25-18(23)22-11-12-24-16(13-22)14-5-7-15(8-6-14)17-20-9-10-21(17)4/h5-10,16H,11-13H2,1-4H3.
What are the key properties of tert-butyl 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylate?
tert-butyl 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylate has a molecular weight of 343.43 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylate is sourced from PubChem (CID 58097888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).