methyl 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1H-isoquinoline-2-carboxylate

C25H25N3O4 — CID 134863578

IUPACmethyl 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1H-isoquinoline-2-carboxylate
SMILESCOC(=O)N1C=Cc2ccccc2C1c1nc(Cc2ccccc2)c(N2CCOCC2)o1
InChIInChI=1S/C25H25N3O4/c1-30-25(29)28-12-11-19-9-5-6-10-20(19)22(28)23-26-21(17-18-7-3-2-4-8-18)24(32-23)27-13-15-31-16-14-27/h2-12,22H,13-17H2,1H3
InChIKeyACGXUUHLUCBXHK-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.24
Rot. Bonds4

About methyl 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1H-isoquinoline-2-carboxylate

methyl 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1H-isoquinoline-2-carboxylate (PubChem CID 134863578) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is methyl 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1H-isoquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1H-isoquinoline-2-carboxylate
PubChem CID134863578
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Namemethyl 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1H-isoquinoline-2-carboxylate
SMILESCOC(=O)N1C=Cc2ccccc2C1c1nc(Cc2ccccc2)c(N2CCOCC2)o1
InChIInChI=1S/C25H25N3O4/c1-30-25(29)28-12-11-19-9-5-6-10-20(19)22(28)23-26-21(17-18-7-3-2-4-8-18)24(32-23)27-13-15-31-16-14-27/h2-12,22H,13-17H2,1H3
InChIKeyACGXUUHLUCBXHK-UHFFFAOYSA-N
XLogP4.24
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1H-isoquinoline-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)hexan-1-one
CID 102173601
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 40939778
methyl (2S)-1-[1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)heptyl]pyrrolidine-2-carboxylate
CID 101133614
1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 56672876
1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-3-methyl-N-[(4-methylphenyl)methyl]butan-1-amine
CID 56665763
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 25354494
4-(4-benzyl-1,3-oxazol-5-yl)morpholine
CID 135041945
4-benzyl-N-cyclobutyl-6-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 69354435
1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-(furan-2-ylmethyl)methanamine
CID 56665422
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 51238652
methyl (1R)-1-[(2R)-5-oxo-2H-furan-2-yl]-1H-isoquinoline-2-carboxylate
CID 138975224
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropylmethanamine
CID 56668438

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1H-isoquinoline-2-carboxylate?
The IUPAC name of methyl 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1H-isoquinoline-2-carboxylate (CID 134863578) is methyl 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1H-isoquinoline-2-carboxylate.
What is the SMILES notation for methyl 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1H-isoquinoline-2-carboxylate?
The canonical SMILES for methyl 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1H-isoquinoline-2-carboxylate is COC(=O)N1C=Cc2ccccc2C1c1nc(Cc2ccccc2)c(N2CCOCC2)o1.
What is the InChIKey of methyl 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1H-isoquinoline-2-carboxylate?
The InChIKey is ACGXUUHLUCBXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-30-25(29)28-12-11-19-9-5-6-10-20(19)22(28)23-26-21(17-18-7-3-2-4-8-18)24(32-23)27-13-15-31-16-14-27/h2-12,22H,13-17H2,1H3.
What are the key properties of methyl 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1H-isoquinoline-2-carboxylate?
methyl 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1H-isoquinoline-2-carboxylate has a molecular weight of 431.49 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1H-isoquinoline-2-carboxylate is sourced from PubChem (CID 134863578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).