N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methyl-1,2,4-oxadiazole-5-carboxamide

C13H15N3O3 — CID 29135101

IUPACN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methyl-1,2,4-oxadiazole-5-carboxamide
SMILESCc1noc(C(=O)N[C@H](CO)Cc2ccccc2)n1
InChIInChI=1S/C13H15N3O3/c1-9-14-13(19-16-9)12(18)15-11(8-17)7-10-5-3-2-4-6-10/h2-6,11,17H,7-8H2,1H3,(H,15,18)/t11-/m0/s1
InChIKeyFQMIXZHERORXKO-NSHDSACASA-N
MW261.28 g/mol
LogP0.71
Rot. Bonds5

About N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methyl-1,2,4-oxadiazole-5-carboxamide

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 29135101) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID29135101
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methyl-1,2,4-oxadiazole-5-carboxamide
SMILESCc1noc(C(=O)N[C@H](CO)Cc2ccccc2)n1
InChIInChI=1S/C13H15N3O3/c1-9-14-13(19-16-9)12(18)15-11(8-17)7-10-5-3-2-4-6-10/h2-6,11,17H,7-8H2,1H3,(H,15,18)/t11-/m0/s1
InChIKeyFQMIXZHERORXKO-NSHDSACASA-N
XLogP0.71
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.71
H-Bond Donors ≤ 52
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-benzhydryl-3-methyl-1,2,4-oxadiazole-5-carboxamide
CID 29131381
N-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 45370003
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide
CID 51809149
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 107861491
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
3-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-6-methylpyridine-2-carboxamide
CID 136564699
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-3-carboxamide
CID 102673588
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-4-carboxamide
CID 102673663
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673732
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-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methyl-1,2,4-oxadiazole-5-carboxamide (CID 29135101) is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methyl-1,2,4-oxadiazole-5-carboxamide is Cc1noc(C(=O)N[C@H](CO)Cc2ccccc2)n1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is FQMIXZHERORXKO-NSHDSACASA-N. The full InChI is InChI=1S/C13H15N3O3/c1-9-14-13(19-16-9)12(18)15-11(8-17)7-10-5-3-2-4-6-10/h2-6,11,17H,7-8H2,1H3,(H,15,18)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methyl-1,2,4-oxadiazole-5-carboxamide?
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 29135101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).