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

C14H18N4O3 — CID 29139817

IUPAC3-[4-(dimethylamino)phenyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCN(C)c1ccc(-c2noc(C(=O)NCCCO)n2)cc1
InChIInChI=1S/C14H18N4O3/c1-18(2)11-6-4-10(5-7-11)12-16-14(21-17-12)13(20)15-8-3-9-19/h4-7,19H,3,8-9H2,1-2H3,(H,15,20)
InChIKeyANHBVOQZHYARBW-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.91
Rot. Bonds6

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

3-[4-(dimethylamino)phenyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 29139817) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID29139817
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name3-[4-(dimethylamino)phenyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCN(C)c1ccc(-c2noc(C(=O)NCCCO)n2)cc1
InChIInChI=1S/C14H18N4O3/c1-18(2)11-6-4-10(5-7-11)12-16-14(21-17-12)13(20)15-8-3-9-19/h4-7,19H,3,8-9H2,1-2H3,(H,15,20)
InChIKeyANHBVOQZHYARBW-UHFFFAOYSA-N
XLogP0.91
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-[3-(methylamino)propyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole-5-carboxamide;hydrochloride
CID 11372206
N-(2-aminoethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 19576133
3-[4-(dimethylamino)phenyl]-N-[(1R)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 96565129
N-(3-hydroxypropyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230893
3-(4-fluorophenyl)-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083881
N-[2-[(2,6-difluorobenzoyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17084206
N-[2-[(2-bromobenzoyl)amino]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083511
N-propyl-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50827969
N-[2-(furan-2-carbonylamino)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17084222
N-[[4-(dimethylamino)phenyl]methyl]-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-1,2,4-oxadiazole-5-carboxamide
CID 53138974

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide (CID 29139817) is 3-[4-(dimethylamino)phenyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide is CN(C)c1ccc(-c2noc(C(=O)NCCCO)n2)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is ANHBVOQZHYARBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-18(2)11-6-4-10(5-7-11)12-16-14(21-17-12)13(20)15-8-3-9-19/h4-7,19H,3,8-9H2,1-2H3,(H,15,20).
What are the key properties of 3-[4-(dimethylamino)phenyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide?
3-[4-(dimethylamino)phenyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 29139817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).