[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3H-benzo[e]indole-2-carboxylate

C20H17N3O4 — CID 71898497

IUPAC[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3H-benzo[e]indole-2-carboxylate
SMILESCc1cc(NC(=O)C(C)OC(=O)c2cc3c(ccc4ccccc43)[nH]2)no1
InChIInChI=1S/C20H17N3O4/c1-11-9-18(23-27-11)22-19(24)12(2)26-20(25)17-10-15-14-6-4-3-5-13(14)7-8-16(15)21-17/h3-10,12,21H,1-2H3,(H,22,23,24)
InChIKeyUBRBTMHTFHNKFO-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.80
Rot. Bonds4

About [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3H-benzo[e]indole-2-carboxylate

[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3H-benzo[e]indole-2-carboxylate (PubChem CID 71898497) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3H-benzo[e]indole-2-carboxylate.

Molecular Properties

Compound Name[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3H-benzo[e]indole-2-carboxylate
PubChem CID71898497
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3H-benzo[e]indole-2-carboxylate
SMILESCc1cc(NC(=O)C(C)OC(=O)c2cc3c(ccc4ccccc43)[nH]2)no1
InChIInChI=1S/C20H17N3O4/c1-11-9-18(23-27-11)22-19(24)12(2)26-20(25)17-10-15-14-6-4-3-5-13(14)7-8-16(15)21-17/h3-10,12,21H,1-2H3,(H,22,23,24)
InChIKeyUBRBTMHTFHNKFO-UHFFFAOYSA-N
XLogP3.80
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3H-benzo[e]indole-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

bis[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate
CID 27380722
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 41323417
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8959161
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate
CID 18122625
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3H-benzo[e]indole-2-carboxylate
CID 38624577
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9386445
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 43036169
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2,3-dimethylbenzoate
CID 41323395
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3,5-dimethylbenzoate
CID 41013626
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 26012027
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 17483020
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-oxo-3-phenylphthalazine-1-carboxylate
CID 46618255

Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3H-benzo[e]indole-2-carboxylate?
The IUPAC name of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3H-benzo[e]indole-2-carboxylate (CID 71898497) is [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3H-benzo[e]indole-2-carboxylate.
What is the SMILES notation for [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3H-benzo[e]indole-2-carboxylate?
The canonical SMILES for [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3H-benzo[e]indole-2-carboxylate is Cc1cc(NC(=O)C(C)OC(=O)c2cc3c(ccc4ccccc43)[nH]2)no1.
What is the InChIKey of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3H-benzo[e]indole-2-carboxylate?
The InChIKey is UBRBTMHTFHNKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-11-9-18(23-27-11)22-19(24)12(2)26-20(25)17-10-15-14-6-4-3-5-13(14)7-8-16(15)21-17/h3-10,12,21H,1-2H3,(H,22,23,24).
What are the key properties of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3H-benzo[e]indole-2-carboxylate?
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3H-benzo[e]indole-2-carboxylate has a molecular weight of 363.37 g/mol, XLogP of 3.80, 4 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-oxopropan-2-yl] 3H-benzo[e]indole-2-carboxylate is sourced from PubChem (CID 71898497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).