N-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide

C20H18N4O2 — CID 53001884

IUPACN-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccn2)c1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H18N4O2/c1-13-18(19(24-26-13)17-8-4-5-10-21-17)20(25)22-11-9-14-12-23-16-7-3-2-6-15(14)16/h2-8,10,12,23H,9,11H2,1H3,(H,22,25)
InChIKeyPYYORJKTIOAMHE-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.50
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 53001884) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
PubChem CID53001884
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccn2)c1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H18N4O2/c1-13-18(19(24-26-13)17-8-4-5-10-21-17)20(25)22-11-9-14-12-23-16-7-3-2-6-15(14)16/h2-8,10,12,23H,9,11H2,1H3,(H,22,25)
InChIKeyPYYORJKTIOAMHE-UHFFFAOYSA-N
XLogP3.50
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 42581080
N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853427
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[2-(1H-indol-3-yl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide
CID 109173719
5-methyl-3-pyridin-2-yl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 53001861
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 34665634
3-bromo-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 107518048
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 110695717
N-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 18532713
N-[2-(1H-indol-3-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-2-carboxamide
CID 109215332
3-tert-butyl-N-(1H-indol-3-ylmethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110605804
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide (CID 53001884) is N-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccn2)c1C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is PYYORJKTIOAMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-18(19(24-26-13)17-8-4-5-10-21-17)20(25)22-11-9-14-12-23-16-7-3-2-6-15(14)16/h2-8,10,12,23H,9,11H2,1H3,(H,22,25).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 53001884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).