N-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide

C20H18N4O3 — CID 45370003

IUPACN-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NC(CO)Cc1ccccc1)c1nc(-c2ccc3cc[nH]c3c2)no1
InChIInChI=1S/C20H18N4O3/c25-12-16(10-13-4-2-1-3-5-13)22-19(26)20-23-18(24-27-20)15-7-6-14-8-9-21-17(14)11-15/h1-9,11,16,21,25H,10,12H2,(H,22,26)
InChIKeyDGCIAHGTUOZASE-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.55
Rot. Bonds6

About N-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide

N-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 45370003) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID45370003
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NC(CO)Cc1ccccc1)c1nc(-c2ccc3cc[nH]c3c2)no1
InChIInChI=1S/C20H18N4O3/c25-12-16(10-13-4-2-1-3-5-13)22-19(26)20-23-18(24-27-20)15-7-6-14-8-9-21-17(14)11-15/h1-9,11,16,21,25H,10,12H2,(H,22,26)
InChIKeyDGCIAHGTUOZASE-UHFFFAOYSA-N
XLogP2.55
TPSA104.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-(1-hydroxy-3-phenylpropan-2-yl)-1,2,4-oxadiazole-5-carboxamide
CID 45370860
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide
CID 51809149
N-(2-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 45369668
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methyl-1,2,4-oxadiazole-5-carboxamide
CID 29135101
N-[(4-chlorophenyl)methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 42534928
3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 42568930
N-cycloheptyl-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 42570665
N-benzyl-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 71703336
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide
CID 101341857
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 42582555
2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673888

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide (CID 45370003) is N-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide is O=C(NC(CO)Cc1ccccc1)c1nc(-c2ccc3cc[nH]c3c2)no1.
What is the InChIKey of N-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is DGCIAHGTUOZASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c25-12-16(10-13-4-2-1-3-5-13)22-19(26)20-23-18(24-27-20)15-7-6-14-8-9-21-17(14)11-15/h1-9,11,16,21,25H,10,12H2,(H,22,26).
What are the key properties of N-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide?
N-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 45370003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).