3-(2-anilino-2-oxoethyl)-N-[(2R)-2-hydroxypropyl]-1,2,4-oxadiazole-5-carboxamide

C14H16N4O4 — CID 39352454

IUPAC3-(2-anilino-2-oxoethyl)-N-[(2R)-2-hydroxypropyl]-1,2,4-oxadiazole-5-carboxamide
SMILESC[C@@H](O)CNC(=O)c1nc(CC(=O)Nc2ccccc2)no1
InChIInChI=1S/C14H16N4O4/c1-9(19)8-15-13(21)14-17-11(18-22-14)7-12(20)16-10-5-3-2-4-6-10/h2-6,9,19H,7-8H2,1H3,(H,15,21)(H,16,20)/t9-/m1/s1
InChIKeyCNVMOJCUMOTNMP-SECBINFHSA-N
MW304.31 g/mol
LogP0.36
Rot. Bonds6

About 3-(2-anilino-2-oxoethyl)-N-[(2R)-2-hydroxypropyl]-1,2,4-oxadiazole-5-carboxamide

3-(2-anilino-2-oxoethyl)-N-[(2R)-2-hydroxypropyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 39352454) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is 3-(2-anilino-2-oxoethyl)-N-[(2R)-2-hydroxypropyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-anilino-2-oxoethyl)-N-[(2R)-2-hydroxypropyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID39352454
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name3-(2-anilino-2-oxoethyl)-N-[(2R)-2-hydroxypropyl]-1,2,4-oxadiazole-5-carboxamide
SMILESC[C@@H](O)CNC(=O)c1nc(CC(=O)Nc2ccccc2)no1
InChIInChI=1S/C14H16N4O4/c1-9(19)8-15-13(21)14-17-11(18-22-14)7-12(20)16-10-5-3-2-4-6-10/h2-6,9,19H,7-8H2,1H3,(H,15,21)(H,16,20)/t9-/m1/s1
InChIKeyCNVMOJCUMOTNMP-SECBINFHSA-N
XLogP0.36
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-anilino-2-oxoethyl)-N-[(2R)-2-hydroxypropyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(2-anilino-2-oxoethyl)-N-[(2R)-2-hydroxypropyl]-1,2,4-oxadiazole-5-carboxamide (CID 39352454) is 3-(2-anilino-2-oxoethyl)-N-[(2R)-2-hydroxypropyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(2-anilino-2-oxoethyl)-N-[(2R)-2-hydroxypropyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(2-anilino-2-oxoethyl)-N-[(2R)-2-hydroxypropyl]-1,2,4-oxadiazole-5-carboxamide is C[C@@H](O)CNC(=O)c1nc(CC(=O)Nc2ccccc2)no1.
What is the InChIKey of 3-(2-anilino-2-oxoethyl)-N-[(2R)-2-hydroxypropyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is CNVMOJCUMOTNMP-SECBINFHSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-9(19)8-15-13(21)14-17-11(18-22-14)7-12(20)16-10-5-3-2-4-6-10/h2-6,9,19H,7-8H2,1H3,(H,15,21)(H,16,20)/t9-/m1/s1.
What are the key properties of 3-(2-anilino-2-oxoethyl)-N-[(2R)-2-hydroxypropyl]-1,2,4-oxadiazole-5-carboxamide?
3-(2-anilino-2-oxoethyl)-N-[(2R)-2-hydroxypropyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 304.31 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-anilino-2-oxoethyl)-N-[(2R)-2-hydroxypropyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 39352454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).