methyl 4-methoxy-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoylamino]benzoate

C18H23N3O5 — CID 118785711

IUPACmethyl 4-methoxy-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoylamino]benzoate
SMILESCOC(=O)c1ccc(OC)c(NC(=O)NCc2cc(CC(C)C)no2)c1
InChIInChI=1S/C18H23N3O5/c1-11(2)7-13-9-14(26-21-13)10-19-18(23)20-15-8-12(17(22)25-4)5-6-16(15)24-3/h5-6,8-9,11H,7,10H2,1-4H3,(H2,19,20,23)
InChIKeyBLUAQFSHBTVUQA-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.99
Rot. Bonds7

About methyl 4-methoxy-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoylamino]benzoate

methyl 4-methoxy-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoylamino]benzoate (PubChem CID 118785711) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is methyl 4-methoxy-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-methoxy-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoylamino]benzoate
PubChem CID118785711
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Namemethyl 4-methoxy-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoylamino]benzoate
SMILESCOC(=O)c1ccc(OC)c(NC(=O)NCc2cc(CC(C)C)no2)c1
InChIInChI=1S/C18H23N3O5/c1-11(2)7-13-9-14(26-21-13)10-19-18(23)20-15-8-12(17(22)25-4)5-6-16(15)24-3/h5-6,8-9,11H,7,10H2,1-4H3,(H2,19,20,23)
InChIKeyBLUAQFSHBTVUQA-UHFFFAOYSA-N
XLogP2.99
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-methoxy-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoylamino]benzoate with MolForge

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Related Compounds

4-methoxy-3-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid
CID 106421198
1-(2-chloro-5-sulfamoylphenyl)-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]urea
CID 118775815
1-(4-fluoro-3-methoxyphenyl)-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea
CID 72939283
1-(2-chloro-3-methoxyphenyl)-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea
CID 72850966
methyl 3-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylamino]-4-methoxybenzoate
CID 118785133
4-methoxy-N-[4-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoyl]cyclohexyl]benzamide
CID 169414203
methyl 3-[[(1R)-1-(3,4-dimethoxyphenyl)ethyl]carbamoylamino]-4-methoxybenzoate
CID 97452026
N-(5-chloro-2-methoxyphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 17253345
methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-4-methoxybenzoate
CID 100633924
1-(5-acetyl-2-methoxyphenyl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea
CID 72889978
(2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyrazol-1-ylbutanamide
CID 97148644
4-methoxy-3-[(3-methoxy-2-methylpropyl)carbamoylamino]benzoic acid
CID 63744816

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoylamino]benzoate?
The IUPAC name of methyl 4-methoxy-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoylamino]benzoate (CID 118785711) is methyl 4-methoxy-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoylamino]benzoate.
What is the SMILES notation for methyl 4-methoxy-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoylamino]benzoate?
The canonical SMILES for methyl 4-methoxy-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoylamino]benzoate is COC(=O)c1ccc(OC)c(NC(=O)NCc2cc(CC(C)C)no2)c1.
What is the InChIKey of methyl 4-methoxy-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoylamino]benzoate?
The InChIKey is BLUAQFSHBTVUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-11(2)7-13-9-14(26-21-13)10-19-18(23)20-15-8-12(17(22)25-4)5-6-16(15)24-3/h5-6,8-9,11H,7,10H2,1-4H3,(H2,19,20,23).
What are the key properties of methyl 4-methoxy-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoylamino]benzoate?
methyl 4-methoxy-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoylamino]benzoate has a molecular weight of 361.40 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoylamino]benzoate is sourced from PubChem (CID 118785711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).