3-(1H-indol-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide

C20H17N3O2 — CID 87008252

IUPAC3-(1H-indol-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C20H17N3O2/c24-20(10-7-15-11-22-18-4-2-1-3-17(15)18)23-16-8-5-14(6-9-16)19-12-21-13-25-19/h1-6,8-9,11-13,22H,7,10H2,(H,23,24)
InChIKeyHJTYFNBRQFXBTA-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.39
Rot. Bonds5

About 3-(1H-indol-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide

3-(1H-indol-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide (PubChem CID 87008252) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
PubChem CID87008252
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name3-(1H-indol-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C20H17N3O2/c24-20(10-7-15-11-22-18-4-2-1-3-17(15)18)23-16-8-5-14(6-9-16)19-12-21-13-25-19/h1-6,8-9,11-13,22H,7,10H2,(H,23,24)
InChIKeyHJTYFNBRQFXBTA-UHFFFAOYSA-N
XLogP4.39
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-3-yl)-N-(4-methylsulfanylphenyl)propanamide
CID 27364914
2-[4-[3-(1H-indol-3-yl)propanoylamino]phenyl]-2-methylpropanoic acid
CID 167894479
4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobutanoic acid
CID 54866818
N-(4-ethylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
CID 42021517
N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide
CID 7732917
N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide
CID 27906978
4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]butanamide
CID 63307748
N-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(1H-indol-3-yl)propanamide
CID 20579503
2-(2-methylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 87008248
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
3-(1H-indol-3-yl)-N-(2-methyl-4-pyridinyl)propanamide
CID 78915659
3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide
CID 7740467

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide (CID 87008252) is 3-(1H-indol-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide is O=C(CCc1c[nH]c2ccccc12)Nc1ccc(-c2cnco2)cc1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide?
The InChIKey is HJTYFNBRQFXBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-20(10-7-15-11-22-18-4-2-1-3-17(15)18)23-16-8-5-14(6-9-16)19-12-21-13-25-19/h1-6,8-9,11-13,22H,7,10H2,(H,23,24).
What are the key properties of 3-(1H-indol-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide?
3-(1H-indol-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide has a molecular weight of 331.38 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 87008252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).