ethyl 4-carbamoyl-2-methyl-5-[(5-propan-2-yl-1,3-benzoxazol-2-yl)amino]furan-3-carboxylate

C19H21N3O5 — CID 108774184

IUPACethyl 4-carbamoyl-2-methyl-5-[(5-propan-2-yl-1,3-benzoxazol-2-yl)amino]furan-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(Nc2nc3cc(C(C)C)ccc3o2)c1C(N)=O
InChIInChI=1S/C19H21N3O5/c1-5-25-18(24)14-10(4)26-17(15(14)16(20)23)22-19-21-12-8-11(9(2)3)6-7-13(12)27-19/h6-9H,5H2,1-4H3,(H2,20,23)(H,21,22)
InChIKeyYMIGERMSOUKMEK-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.87
Rot. Bonds6

About ethyl 4-carbamoyl-2-methyl-5-[(5-propan-2-yl-1,3-benzoxazol-2-yl)amino]furan-3-carboxylate

ethyl 4-carbamoyl-2-methyl-5-[(5-propan-2-yl-1,3-benzoxazol-2-yl)amino]furan-3-carboxylate (PubChem CID 108774184) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is ethyl 4-carbamoyl-2-methyl-5-[(5-propan-2-yl-1,3-benzoxazol-2-yl)amino]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-carbamoyl-2-methyl-5-[(5-propan-2-yl-1,3-benzoxazol-2-yl)amino]furan-3-carboxylate
PubChem CID108774184
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Nameethyl 4-carbamoyl-2-methyl-5-[(5-propan-2-yl-1,3-benzoxazol-2-yl)amino]furan-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(Nc2nc3cc(C(C)C)ccc3o2)c1C(N)=O
InChIInChI=1S/C19H21N3O5/c1-5-25-18(24)14-10(4)26-17(15(14)16(20)23)22-19-21-12-8-11(9(2)3)6-7-13(12)27-19/h6-9H,5H2,1-4H3,(H2,20,23)(H,21,22)
InChIKeyYMIGERMSOUKMEK-UHFFFAOYSA-N
XLogP3.87
TPSA120.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 4-carbamoyl-2-methyl-5-[(5-propan-2-yl-1,3-benzoxazol-2-yl)amino]furan-3-carboxylate with MolForge

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Related Compounds

ethyl 4-carbamoyl-2-methyl-5-[(6-methylpyrimidin-4-yl)amino]furan-3-carboxylate
CID 108774168
ethyl 4-carbamoyl-2-methyl-5-[[6-(4-methylphenyl)pyridazin-3-yl]amino]furan-3-carboxylate
CID 108774195
ethyl 5-[(5-methyl-1,3-benzoxazol-2-yl)amino]-1,3,4-oxadiazole-2-carboxylate
CID 158973706
ethyl 5-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-4-carbamoyl-2-methylfuran-3-carboxylate
CID 9006387
4-ethylsulfanyl-2-[(5-propan-2-yl-1,3-benzoxazol-2-yl)amino]butanoic acid
CID 108777969
ethyl 2-hydroxy-2-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetate
CID 117412349
ethyl 6-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]pyridazine-3-carboxylate
CID 108776690
ethyl 4-carbamoyl-5-[2-(4-chlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate
CID 108757120
ethyl 2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate
CID 166475762
diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate
CID 108739453
diethyl 2-methyl-5-[[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]amino]furan-3,4-dicarboxylate
CID 108776192
ethyl 4-carbamoyl-5-[2-(2,4-dichlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate
CID 108733677

Frequently Asked Questions

What is the IUPAC name of ethyl 4-carbamoyl-2-methyl-5-[(5-propan-2-yl-1,3-benzoxazol-2-yl)amino]furan-3-carboxylate?
The IUPAC name of ethyl 4-carbamoyl-2-methyl-5-[(5-propan-2-yl-1,3-benzoxazol-2-yl)amino]furan-3-carboxylate (CID 108774184) is ethyl 4-carbamoyl-2-methyl-5-[(5-propan-2-yl-1,3-benzoxazol-2-yl)amino]furan-3-carboxylate.
What is the SMILES notation for ethyl 4-carbamoyl-2-methyl-5-[(5-propan-2-yl-1,3-benzoxazol-2-yl)amino]furan-3-carboxylate?
The canonical SMILES for ethyl 4-carbamoyl-2-methyl-5-[(5-propan-2-yl-1,3-benzoxazol-2-yl)amino]furan-3-carboxylate is CCOC(=O)c1c(C)oc(Nc2nc3cc(C(C)C)ccc3o2)c1C(N)=O.
What is the InChIKey of ethyl 4-carbamoyl-2-methyl-5-[(5-propan-2-yl-1,3-benzoxazol-2-yl)amino]furan-3-carboxylate?
The InChIKey is YMIGERMSOUKMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-5-25-18(24)14-10(4)26-17(15(14)16(20)23)22-19-21-12-8-11(9(2)3)6-7-13(12)27-19/h6-9H,5H2,1-4H3,(H2,20,23)(H,21,22).
What are the key properties of ethyl 4-carbamoyl-2-methyl-5-[(5-propan-2-yl-1,3-benzoxazol-2-yl)amino]furan-3-carboxylate?
ethyl 4-carbamoyl-2-methyl-5-[(5-propan-2-yl-1,3-benzoxazol-2-yl)amino]furan-3-carboxylate has a molecular weight of 371.39 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-carbamoyl-2-methyl-5-[(5-propan-2-yl-1,3-benzoxazol-2-yl)amino]furan-3-carboxylate is sourced from PubChem (CID 108774184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).