N-[3-(1H-indol-3-yl)propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide

C15H17N3O2 — CID 167845719

IUPACN-[3-(1H-indol-3-yl)propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCc1c[nH]c2ccccc12)C1=NOCC1
InChIInChI=1S/C15H17N3O2/c19-15(14-7-9-20-18-14)16-8-3-4-11-10-17-13-6-2-1-5-12(11)13/h1-2,5-6,10,17H,3-4,7-9H2,(H,16,19)
InChIKeyHEYZNQURCHPYGT-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.99
Rot. Bonds5

About N-[3-(1H-indol-3-yl)propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide

N-[3-(1H-indol-3-yl)propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 167845719) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[3-(1H-indol-3-yl)propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-indol-3-yl)propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID167845719
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[3-(1H-indol-3-yl)propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCc1c[nH]c2ccccc12)C1=NOCC1
InChIInChI=1S/C15H17N3O2/c19-15(14-7-9-20-18-14)16-8-3-4-11-10-17-13-6-2-1-5-12(11)13/h1-2,5-6,10,17H,3-4,7-9H2,(H,16,19)
InChIKeyHEYZNQURCHPYGT-UHFFFAOYSA-N
XLogP1.99
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1H-indol-3-yl)propyl]pyrimidine-5-carboxamide
CID 167952935
1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopropane-1-carboxamide
CID 119778812
1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopentane-1-carboxamide
CID 119320799
1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111108819
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787
2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohexene-1-carboxylic acid
CID 53270372
N-[4-(1H-indol-3-yl)butyl]acetamide
CID 132534601
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[3-(1H-indol-3-yl)propyl]-4-methoxypiperidine-4-carboxamide
CID 119778849
N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide
CID 103803030
5-bromo-N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 4792773
1-(4-hydroxy-3-methylbutan-2-yl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111455373

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-3-yl)propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(1H-indol-3-yl)propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 167845719) is N-[3-(1H-indol-3-yl)propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(1H-indol-3-yl)propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(1H-indol-3-yl)propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide is O=C(NCCCc1c[nH]c2ccccc12)C1=NOCC1.
What is the InChIKey of N-[3-(1H-indol-3-yl)propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is HEYZNQURCHPYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-15(14-7-9-20-18-14)16-8-3-4-11-10-17-13-6-2-1-5-12(11)13/h1-2,5-6,10,17H,3-4,7-9H2,(H,16,19).
What are the key properties of N-[3-(1H-indol-3-yl)propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide?
N-[3-(1H-indol-3-yl)propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-3-yl)propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 167845719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).