N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

C18H21N3O3 — CID 110606105

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C18H21N3O3/c1-11(2)17-16(12(3)20-24-17)18(23)19-10-15(22)21-9-8-13-6-4-5-7-14(13)21/h4-7,11H,8-10H2,1-3H3,(H,19,23)
InChIKeyFRDQBEGEJDKDES-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.43
Rot. Bonds4

About N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 110606105) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID110606105
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C18H21N3O3/c1-11(2)17-16(12(3)20-24-17)18(23)19-10-15(22)21-9-8-13-6-4-5-7-14(13)21/h4-7,11H,8-10H2,1-3H3,(H,19,23)
InChIKeyFRDQBEGEJDKDES-UHFFFAOYSA-N
XLogP2.43
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 8507117
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110606103
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide
CID 110615311
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 110615313
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 110606147
5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 2453360
(2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194966
N-[2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 110673378
4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pentanamide;hydrochloride
CID 120562063
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-2-(4-methylphenyl)butanamide
CID 110406291
1-(2,3-dihydroindol-1-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone
CID 110677413

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 110606105) is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)NCC(=O)N1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is FRDQBEGEJDKDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-11(2)17-16(12(3)20-24-17)18(23)19-10-15(22)21-9-8-13-6-4-5-7-14(13)21/h4-7,11H,8-10H2,1-3H3,(H,19,23).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110606105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).