N-(1,2-oxazol-5-ylmethyl)-2-oxo-1,3-dihydroindole-6-carboxamide

C13H11N3O3 — CID 102737501

IUPACN-(1,2-oxazol-5-ylmethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESO=C1Cc2ccc(C(=O)NCc3ccno3)cc2N1
InChIInChI=1S/C13H11N3O3/c17-12-6-8-1-2-9(5-11(8)16-12)13(18)14-7-10-3-4-15-19-10/h1-5H,6-7H2,(H,14,18)(H,16,17)
InChIKeyCKADFVQYNUEMLO-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.10
Rot. Bonds3

About N-(1,2-oxazol-5-ylmethyl)-2-oxo-1,3-dihydroindole-6-carboxamide

N-(1,2-oxazol-5-ylmethyl)-2-oxo-1,3-dihydroindole-6-carboxamide (PubChem CID 102737501) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)-2-oxo-1,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
PubChem CID102737501
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC NameN-(1,2-oxazol-5-ylmethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESO=C1Cc2ccc(C(=O)NCc3ccno3)cc2N1
InChIInChI=1S/C13H11N3O3/c17-12-6-8-1-2-9(5-11(8)16-12)13(18)14-7-10-3-4-15-19-10/h1-5H,6-7H2,(H,14,18)(H,16,17)
InChIKeyCKADFVQYNUEMLO-UHFFFAOYSA-N
XLogP1.10
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711822
N-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712839
2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-6-carboxamide
CID 102712365
N-[(2-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711893
N-[(1-methylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737430
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712117
N-[(6-methyl-3-pyridinyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712353
N-butyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711852
4-(1,2-oxazol-5-ylmethylcarbamoyl)benzoic acid
CID 106422079
4-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106413498
N-[(1-ethylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737434
4-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 103939745

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)-2-oxo-1,3-dihydroindole-6-carboxamide?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)-2-oxo-1,3-dihydroindole-6-carboxamide (CID 102737501) is N-(1,2-oxazol-5-ylmethyl)-2-oxo-1,3-dihydroindole-6-carboxamide.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)-2-oxo-1,3-dihydroindole-6-carboxamide?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)-2-oxo-1,3-dihydroindole-6-carboxamide is O=C1Cc2ccc(C(=O)NCc3ccno3)cc2N1.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)-2-oxo-1,3-dihydroindole-6-carboxamide?
The InChIKey is CKADFVQYNUEMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c17-12-6-8-1-2-9(5-11(8)16-12)13(18)14-7-10-3-4-15-19-10/h1-5H,6-7H2,(H,14,18)(H,16,17).
What are the key properties of N-(1,2-oxazol-5-ylmethyl)-2-oxo-1,3-dihydroindole-6-carboxamide?
N-(1,2-oxazol-5-ylmethyl)-2-oxo-1,3-dihydroindole-6-carboxamide has a molecular weight of 257.25 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)-2-oxo-1,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 102737501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).