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

C16H17N3O3 — CID 154759078

IUPACN-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methyl-1,3-oxazole-2-carboxamide
SMILESCc1cnc(C(=O)NC(C)C(=O)N2CCc3ccccc32)o1
InChIInChI=1S/C16H17N3O3/c1-10-9-17-15(22-10)14(20)18-11(2)16(21)19-8-7-12-5-3-4-6-13(12)19/h3-6,9,11H,7-8H2,1-2H3,(H,18,20)
InChIKeyRWXUSCKTJAPOFM-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.69
Rot. Bonds3

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

N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methyl-1,3-oxazole-2-carboxamide (PubChem CID 154759078) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methyl-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methyl-1,3-oxazole-2-carboxamide
PubChem CID154759078
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methyl-1,3-oxazole-2-carboxamide
SMILESCc1cnc(C(=O)NC(C)C(=O)N2CCc3ccccc32)o1
InChIInChI=1S/C16H17N3O3/c1-10-9-17-15(22-10)14(20)18-11(2)16(21)19-8-7-12-5-3-4-6-13(12)19/h3-6,9,11H,7-8H2,1-2H3,(H,18,20)
InChIKeyRWXUSCKTJAPOFM-UHFFFAOYSA-N
XLogP1.69
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472
ethyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348137
N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136885591
phenyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348139
ethyl 2-[[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamoylamino]acetate
CID 92881497
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 29405685
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid
CID 70362593
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
CID 110348089
N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110922742
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea
CID 46383476
1-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylphenyl)urea
CID 92881468
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(3-methylbutyl)urea
CID 46383468

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methyl-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methyl-1,3-oxazole-2-carboxamide (CID 154759078) is N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methyl-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methyl-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methyl-1,3-oxazole-2-carboxamide is Cc1cnc(C(=O)NC(C)C(=O)N2CCc3ccccc32)o1.
What is the InChIKey of N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methyl-1,3-oxazole-2-carboxamide?
The InChIKey is RWXUSCKTJAPOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10-9-17-15(22-10)14(20)18-11(2)16(21)19-8-7-12-5-3-4-6-13(12)19/h3-6,9,11H,7-8H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methyl-1,3-oxazole-2-carboxamide?
N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methyl-1,3-oxazole-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methyl-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 154759078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).