3-[4-(dimethylamino)phenyl]-N-[(1R)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide

C19H20N4O2 — CID 96565129

IUPAC3-[4-(dimethylamino)phenyl]-N-[(1R)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1nc(-c2ccc(N(C)C)cc2)no1)c1ccccc1
InChIInChI=1S/C19H20N4O2/c1-13(14-7-5-4-6-8-14)20-18(24)19-21-17(22-25-19)15-9-11-16(12-10-15)23(2)3/h4-13H,1-3H3,(H,20,24)/t13-/m1/s1
InChIKeyHCHGBHJQSDPGGW-CYBMUJFWSA-N
MW336.40 g/mol
LogP3.29
Rot. Bonds5

About 3-[4-(dimethylamino)phenyl]-N-[(1R)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide

3-[4-(dimethylamino)phenyl]-N-[(1R)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 96565129) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-N-[(1R)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-N-[(1R)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID96565129
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3-[4-(dimethylamino)phenyl]-N-[(1R)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1nc(-c2ccc(N(C)C)cc2)no1)c1ccccc1
InChIInChI=1S/C19H20N4O2/c1-13(14-7-5-4-6-8-14)20-18(24)19-21-17(22-25-19)15-9-11-16(12-10-15)23(2)3/h4-13H,1-3H3,(H,20,24)/t13-/m1/s1
InChIKeyHCHGBHJQSDPGGW-CYBMUJFWSA-N
XLogP3.29
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 51815176
3-[4-(dimethylamino)phenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 29130336
3-[4-(dimethylamino)phenyl]-N-(2-hydroxy-2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 42651150
N-[(1R)-1-phenylethyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
CID 95103431
N-[(1S)-1-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 93140344
3-[4-(dimethylamino)phenyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide
CID 29139817
5-(dimethylamino)-N-(1-phenylethyl)-1,2,4-oxadiazole-3-carboxamide
CID 117061449
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101424
3-(2-anilino-2-oxoethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 39335824
N-[(2R)-2-hydroxy-2-phenylethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
CID 41129917
4-(dimethylamino)-N'-[(1S)-1-phenylethyl]benzohydrazide
CID 11832930
N-benzhydryl-3-methyl-1,2,4-oxadiazole-5-carboxamide
CID 29131381

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-N-[(1R)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-N-[(1R)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide (CID 96565129) is 3-[4-(dimethylamino)phenyl]-N-[(1R)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-N-[(1R)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-N-[(1R)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide is C[C@@H](NC(=O)c1nc(-c2ccc(N(C)C)cc2)no1)c1ccccc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-N-[(1R)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is HCHGBHJQSDPGGW-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13(14-7-5-4-6-8-14)20-18(24)19-21-17(22-25-19)15-9-11-16(12-10-15)23(2)3/h4-13H,1-3H3,(H,20,24)/t13-/m1/s1.
What are the key properties of 3-[4-(dimethylamino)phenyl]-N-[(1R)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide?
3-[4-(dimethylamino)phenyl]-N-[(1R)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-N-[(1R)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 96565129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).