N-[2-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

C16H16N4O4 — CID 118367784

IUPACN-[2-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESC[C@@H](O)c1nnc(CCNC(=O)c2cc(-c3ccccc3)on2)o1
InChIInChI=1S/C16H16N4O4/c1-10(21)16-19-18-14(23-16)7-8-17-15(22)12-9-13(24-20-12)11-5-3-2-4-6-11/h2-6,9-10,21H,7-8H2,1H3,(H,17,22)/t10-/m1/s1
InChIKeyNDJGAUWSTWHPJI-SNVBAGLBSA-N
MW328.33 g/mol
LogP1.75
Rot. Bonds6

About N-[2-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[2-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 118367784) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[2-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID118367784
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC NameN-[2-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESC[C@@H](O)c1nnc(CCNC(=O)c2cc(-c3ccccc3)on2)o1
InChIInChI=1S/C16H16N4O4/c1-10(21)16-19-18-14(23-16)7-8-17-15(22)12-9-13(24-20-12)11-5-3-2-4-6-11/h2-6,9-10,21H,7-8H2,1H3,(H,17,22)/t10-/m1/s1
InChIKeyNDJGAUWSTWHPJI-SNVBAGLBSA-N
XLogP1.75
TPSA114.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43418328
ethane;5-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 144922079
N-[2-(4-hydroxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 24738150
N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 44602317
N-[2-(methylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 120827875
N-(3-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 65031495
5-phenyl-N-[2-(2,2,4-trimethylpentanoylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 131991756
5-phenyl-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 24738148
N-[3-(chloroamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118906505
2-methylpropyl N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate
CID 131991833
N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51103232
4-methyl-2-[2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 72857542

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 118367784) is N-[2-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide is C[C@@H](O)c1nnc(CCNC(=O)c2cc(-c3ccccc3)on2)o1.
What is the InChIKey of N-[2-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is NDJGAUWSTWHPJI-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-10(21)16-19-18-14(23-16)7-8-17-15(22)12-9-13(24-20-12)11-5-3-2-4-6-11/h2-6,9-10,21H,7-8H2,1H3,(H,17,22)/t10-/m1/s1.
What are the key properties of N-[2-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[2-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 328.33 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118367784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).