3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide

C25H27N3O2 — CID 55574210

IUPAC3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide
SMILESCCCc1noc(CCC(=O)NCC2CC3c4ccccc4C2c2ccccc23)n1
InChIInChI=1S/C25H27N3O2/c1-2-7-22-27-24(30-28-22)13-12-23(29)26-15-16-14-21-17-8-3-5-10-19(17)25(16)20-11-6-4-9-18(20)21/h3-6,8-11,16,21,25H,2,7,12-15H2,1H3,(H,26,29)
InChIKeyDVLAFBKPXKFOHI-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.37
Rot. Bonds7

About 3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide

3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide (PubChem CID 55574210) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide
PubChem CID55574210
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide
SMILESCCCc1noc(CCC(=O)NCC2CC3c4ccccc4C2c2ccccc23)n1
InChIInChI=1S/C25H27N3O2/c1-2-7-22-27-24(30-28-22)13-12-23(29)26-15-16-14-21-17-8-3-5-10-19(17)25(16)20-11-6-4-9-18(20)21/h3-6,8-11,16,21,25H,2,7,12-15H2,1H3,(H,26,29)
InChIKeyDVLAFBKPXKFOHI-UHFFFAOYSA-N
XLogP4.37
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide with MolForge

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Related Compounds

N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 95126904
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 39547105
2-(methylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide;hydrochloride
CID 119689610
3-cyclohexyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide
CID 16762907
2-phenoxy-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]acetamide
CID 30394821
N-(2-hydroxy-2-methylpentyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 103713290
2-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide
CID 42940509
cis-(1R,3S)-3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 106320037
2-(2-methyl-1,3-thiazol-4-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 134026067
2-(cyclopropylmethylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 119689613
(2R,3S)-3-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)oxirane-2-carboxamide
CID 166429192
N-(2-bromoprop-2-enyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 113227487

Frequently Asked Questions

What is the IUPAC name of 3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide?
The IUPAC name of 3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide (CID 55574210) is 3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide.
What is the SMILES notation for 3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide?
The canonical SMILES for 3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide is CCCc1noc(CCC(=O)NCC2CC3c4ccccc4C2c2ccccc23)n1.
What is the InChIKey of 3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide?
The InChIKey is DVLAFBKPXKFOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-2-7-22-27-24(30-28-22)13-12-23(29)26-15-16-14-21-17-8-3-5-10-19(17)25(16)20-11-6-4-9-18(20)21/h3-6,8-11,16,21,25H,2,7,12-15H2,1H3,(H,26,29).
What are the key properties of 3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide?
3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide has a molecular weight of 401.51 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide is sourced from PubChem (CID 55574210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).