5-(3-methoxyphenyl)-3-methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-g]isoquinolin-2-one

C18H18N2O3 — CID 46225916

IUPAC5-(3-methoxyphenyl)-3-methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-g]isoquinolin-2-one
SMILESCOc1cccc(C2NCCc3cc4oc(=O)n(C)c4cc32)c1
InChIInChI=1S/C18H18N2O3/c1-20-15-10-14-11(9-16(15)23-18(20)21)6-7-19-17(14)12-4-3-5-13(8-12)22-2/h3-5,8-10,17,19H,6-7H2,1-2H3
InChIKeySEOHYIBAJFFZNY-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.38
Rot. Bonds2

About 5-(3-methoxyphenyl)-3-methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-g]isoquinolin-2-one

5-(3-methoxyphenyl)-3-methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-g]isoquinolin-2-one (PubChem CID 46225916) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-3-methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-g]isoquinolin-2-one.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-3-methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-g]isoquinolin-2-one
PubChem CID46225916
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name5-(3-methoxyphenyl)-3-methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-g]isoquinolin-2-one
SMILESCOc1cccc(C2NCCc3cc4oc(=O)n(C)c4cc32)c1
InChIInChI=1S/C18H18N2O3/c1-20-15-10-14-11(9-16(15)23-18(20)21)6-7-19-17(14)12-4-3-5-13(8-12)22-2/h3-5,8-10,17,19H,6-7H2,1-2H3
InChIKeySEOHYIBAJFFZNY-UHFFFAOYSA-N
XLogP2.38
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3-methoxyphenyl)-3-methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-g]isoquinolin-2-one with MolForge

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Related Compounds

(1R,12R,13R)-20-(cyclopropylmethyl)-5-oxa-7,20-diazapentacyclo[10.5.3.01,13.02,10.04,8]icosa-2,4(8),9-trien-6-one
CID 44429060
(1R,12R,13R)-20-(cyclobutylmethyl)-5-oxa-7,20-diazapentacyclo[10.5.3.01,13.02,10.04,8]icosa-2,4(8),9-trien-6-one
CID 44429061
6-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-1,3-benzoxazol-2-one
CID 10408385
6-Benzyl-3-(2-morpholinoethyl)-1,3-benzoxazol-2-one
CID 473059
N-(3,4-Dimethyl-phenyl)-2-(2-oxo-benzooxazol-3-yl)-acetamide
CID 969749
6-[2-(4-Naphthalen-1-yl-piperazin-1-yl)-ethyl]-3H-benzooxazol-2-one
CID 9820887
6-[3-(4-Benzyl-piperidin-1-yl)-prop-1-ynyl]-3H-benzooxazol-2-one
CID 10783792
6-{2-[((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amino]-ethyl}-3H-benzooxazol-2-one
CID 10808906
5-{2-[((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amino]-ethyl}-3H-benzooxazol-2-one
CID 10808907
5-(dipropylamino)-5,6-dihydro-2H,4H-oxazolo(5,4,3-ij)quinolin-2-one
CID 11250167
3-[(3-Methoxyphenyl)methyl]-5,6-dimethyl-1,3-benzoxazol-2-one
CID 52941350
US10226452, Example 24
CID 118513805

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-3-methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-g]isoquinolin-2-one?
The IUPAC name of 5-(3-methoxyphenyl)-3-methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-g]isoquinolin-2-one (CID 46225916) is 5-(3-methoxyphenyl)-3-methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-g]isoquinolin-2-one.
What is the SMILES notation for 5-(3-methoxyphenyl)-3-methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-g]isoquinolin-2-one?
The canonical SMILES for 5-(3-methoxyphenyl)-3-methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-g]isoquinolin-2-one is COc1cccc(C2NCCc3cc4oc(=O)n(C)c4cc32)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-3-methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-g]isoquinolin-2-one?
The InChIKey is SEOHYIBAJFFZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-20-15-10-14-11(9-16(15)23-18(20)21)6-7-19-17(14)12-4-3-5-13(8-12)22-2/h3-5,8-10,17,19H,6-7H2,1-2H3.
What are the key properties of 5-(3-methoxyphenyl)-3-methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-g]isoquinolin-2-one?
5-(3-methoxyphenyl)-3-methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-g]isoquinolin-2-one has a molecular weight of 310.35 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-3-methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-g]isoquinolin-2-one is sourced from PubChem (CID 46225916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).