[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4,6-dimethyl-1H-indole-2-carboxylate

C19H21N3O4 — CID 43036169

IUPAC[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4,6-dimethyl-1H-indole-2-carboxylate
SMILESCCC(OC(=O)c1cc2c(C)cc(C)cc2[nH]1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C19H21N3O4/c1-5-16(18(23)21-17-8-12(4)26-22-17)25-19(24)15-9-13-11(3)6-10(2)7-14(13)20-15/h6-9,16,20H,5H2,1-4H3,(H,21,22,23)
InChIKeyDHMNHIVNCRXZFR-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.66
Rot. Bonds5

About [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4,6-dimethyl-1H-indole-2-carboxylate

[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4,6-dimethyl-1H-indole-2-carboxylate (PubChem CID 43036169) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4,6-dimethyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Name[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4,6-dimethyl-1H-indole-2-carboxylate
PubChem CID43036169
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4,6-dimethyl-1H-indole-2-carboxylate
SMILESCCC(OC(=O)c1cc2c(C)cc(C)cc2[nH]1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C19H21N3O4/c1-5-16(18(23)21-17-8-12(4)26-22-17)25-19(24)15-9-13-11(3)6-10(2)7-14(13)20-15/h6-9,16,20H,5H2,1-4H3,(H,21,22,23)
InChIKeyDHMNHIVNCRXZFR-UHFFFAOYSA-N
XLogP3.66
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4,6-dimethyl-1H-indole-2-carboxylate?
The IUPAC name of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4,6-dimethyl-1H-indole-2-carboxylate (CID 43036169) is [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4,6-dimethyl-1H-indole-2-carboxylate.
What is the SMILES notation for [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4,6-dimethyl-1H-indole-2-carboxylate?
The canonical SMILES for [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4,6-dimethyl-1H-indole-2-carboxylate is CCC(OC(=O)c1cc2c(C)cc(C)cc2[nH]1)C(=O)Nc1cc(C)on1.
What is the InChIKey of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4,6-dimethyl-1H-indole-2-carboxylate?
The InChIKey is DHMNHIVNCRXZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-5-16(18(23)21-17-8-12(4)26-22-17)25-19(24)15-9-13-11(3)6-10(2)7-14(13)20-15/h6-9,16,20H,5H2,1-4H3,(H,21,22,23).
What are the key properties of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4,6-dimethyl-1H-indole-2-carboxylate?
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4,6-dimethyl-1H-indole-2-carboxylate has a molecular weight of 355.39 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4,6-dimethyl-1H-indole-2-carboxylate is sourced from PubChem (CID 43036169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).