N-[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide

C30H27N5O2 — CID 112820337

IUPACN-[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1noc(CCC(=O)Nc2ccccc2CC(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C30H27N5O2/c1-19-33-30(37-35-19)15-14-29(36)34-26-11-5-2-8-20(26)16-23(24-17-31-27-12-6-3-9-21(24)27)25-18-32-28-13-7-4-10-22(25)28/h2-13,17-18,23,31-32H,14-16H2,1H3,(H,34,36)
InChIKeyQLNNEQZGMQYXJB-UHFFFAOYSA-N
MW489.58 g/mol
LogP6.29
Rot. Bonds8

About N-[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide

N-[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 112820337) has the molecular formula C30H27N5O2 and a molecular weight of 489.58 g/mol. Its IUPAC name is N-[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID112820337
Molecular FormulaC30H27N5O2
Molecular Weight489.58 g/mol
Exact Mass489.22
IUPAC NameN-[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1noc(CCC(=O)Nc2ccccc2CC(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C30H27N5O2/c1-19-33-30(37-35-19)15-14-29(36)34-26-11-5-2-8-20(26)16-23(24-17-31-27-12-6-3-9-21(24)27)25-18-32-28-13-7-4-10-22(25)28/h2-13,17-18,23,31-32H,14-16H2,1H3,(H,34,36)
InChIKeyQLNNEQZGMQYXJB-UHFFFAOYSA-N
XLogP6.29
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 56.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (CID 112820337) is N-[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is Cc1noc(CCC(=O)Nc2ccccc2CC(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)n1.
What is the InChIKey of N-[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is QLNNEQZGMQYXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O2/c1-19-33-30(37-35-19)15-14-29(36)34-26-11-5-2-8-20(26)16-23(24-17-31-27-12-6-3-9-21(24)27)25-18-32-28-13-7-4-10-22(25)28/h2-13,17-18,23,31-32H,14-16H2,1H3,(H,34,36).
What are the key properties of N-[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
N-[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 489.58 g/mol, XLogP of 6.29, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 112820337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).