N-(1,3-oxazol-5-ylmethyl)-4-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)benzamide

C22H19N3O2 — CID 156653633

IUPACN-(1,3-oxazol-5-ylmethyl)-4-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)benzamide
SMILESCC#CN1CCc2cc(-c3ccc(C(=O)NCc4cnco4)cc3)ccc21
InChIInChI=1S/C22H19N3O2/c1-2-10-25-11-9-19-12-18(7-8-21(19)25)16-3-5-17(6-4-16)22(26)24-14-20-13-23-15-27-20/h3-8,12-13,15H,9,11,14H2,1H3,(H,24,26)
InChIKeyRHSXLPVSWJKZEW-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.61
Rot. Bonds4

About N-(1,3-oxazol-5-ylmethyl)-4-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)benzamide

N-(1,3-oxazol-5-ylmethyl)-4-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)benzamide (PubChem CID 156653633) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(1,3-oxazol-5-ylmethyl)-4-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)benzamide.

Molecular Properties

Compound NameN-(1,3-oxazol-5-ylmethyl)-4-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)benzamide
PubChem CID156653633
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-(1,3-oxazol-5-ylmethyl)-4-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)benzamide
SMILESCC#CN1CCc2cc(-c3ccc(C(=O)NCc4cnco4)cc3)ccc21
InChIInChI=1S/C22H19N3O2/c1-2-10-25-11-9-19-12-18(7-8-21(19)25)16-3-5-17(6-4-16)22(26)24-14-20-13-23-15-27-20/h3-8,12-13,15H,9,11,14H2,1H3,(H,24,26)
InChIKeyRHSXLPVSWJKZEW-UHFFFAOYSA-N
XLogP3.61
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)pyridazin-4-yl]methyl]benzamide
CID 156653629
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 53109956
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(4-chlorophenyl)methyl]benzamide
CID 53043801
4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 153360604
1,3-oxazol-5-ylmethanamine;3-(1,3-oxazol-5-yl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;4-(1-propanoyl-2,3-dihydroindol-5-yl)benzoic acid
CID 167607946
3-fluoro-4-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)benzoic acid
CID 156653542
4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen
CID 153360984
2-methoxy-4-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)benzoic acid
CID 156653578
N-[(4-methoxyphenyl)methyl]-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide
CID 53109826
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-methylbenzamide
CID 53109968
6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-oxazol-5-ylmethyl)pyridine-3-carboxamide
CID 129040010
4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 53109916

Frequently Asked Questions

What is the IUPAC name of N-(1,3-oxazol-5-ylmethyl)-4-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)benzamide?
The IUPAC name of N-(1,3-oxazol-5-ylmethyl)-4-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)benzamide (CID 156653633) is N-(1,3-oxazol-5-ylmethyl)-4-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)benzamide.
What is the SMILES notation for N-(1,3-oxazol-5-ylmethyl)-4-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)benzamide?
The canonical SMILES for N-(1,3-oxazol-5-ylmethyl)-4-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)benzamide is CC#CN1CCc2cc(-c3ccc(C(=O)NCc4cnco4)cc3)ccc21.
What is the InChIKey of N-(1,3-oxazol-5-ylmethyl)-4-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)benzamide?
The InChIKey is RHSXLPVSWJKZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-2-10-25-11-9-19-12-18(7-8-21(19)25)16-3-5-17(6-4-16)22(26)24-14-20-13-23-15-27-20/h3-8,12-13,15H,9,11,14H2,1H3,(H,24,26).
What are the key properties of N-(1,3-oxazol-5-ylmethyl)-4-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)benzamide?
N-(1,3-oxazol-5-ylmethyl)-4-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)benzamide has a molecular weight of 357.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-oxazol-5-ylmethyl)-4-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)benzamide is sourced from PubChem (CID 156653633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).