N-(4-methoxyphenyl)-3-[2-(methylamino)propyl]-1,2,4-oxadiazole-5-carboxamide

C14H18N4O3 — CID 120867431

IUPACN-(4-methoxyphenyl)-3-[2-(methylamino)propyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCNC(C)Cc1noc(C(=O)Nc2ccc(OC)cc2)n1
InChIInChI=1S/C14H18N4O3/c1-9(15-2)8-12-17-14(21-18-12)13(19)16-10-4-6-11(20-3)7-5-10/h4-7,9,15H,8H2,1-3H3,(H,16,19)
InChIKeyAVZDMPCQVNVZLX-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.48
Rot. Bonds6

About N-(4-methoxyphenyl)-3-[2-(methylamino)propyl]-1,2,4-oxadiazole-5-carboxamide

N-(4-methoxyphenyl)-3-[2-(methylamino)propyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 120867431) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-[2-(methylamino)propyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-[2-(methylamino)propyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID120867431
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC NameN-(4-methoxyphenyl)-3-[2-(methylamino)propyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCNC(C)Cc1noc(C(=O)Nc2ccc(OC)cc2)n1
InChIInChI=1S/C14H18N4O3/c1-9(15-2)8-12-17-14(21-18-12)13(19)16-10-4-6-11(20-3)7-5-10/h4-7,9,15H,8H2,1-3H3,(H,16,19)
InChIKeyAVZDMPCQVNVZLX-UHFFFAOYSA-N
XLogP1.48
TPSA89.28 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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[2-methyl-1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propyl]benzamide;hydrochloride
CID 120865524
3-[(4-acetamidophenoxy)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 39333258
N-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 95092694
N-methyl-1-[5-(3-methylbut-2-en-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120869537
1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 63345474
4-methoxy-N-[4-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507626
3-methoxy-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 90573837
[(2R)-2-hydroxy-3-[4-[(3-methyl-1,2,4-oxadiazole-5-carbonyl)amino]phenoxy]propyl]-propan-2-ylazanium
CID 7035763
N-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 42427383
N-[4-(butan-2-ylamino)phenyl]-4-methoxybenzamide
CID 112980466
N-(4-methoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46688985
N-(4-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)acetamide
CID 104760150

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-[2-(methylamino)propyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-3-[2-(methylamino)propyl]-1,2,4-oxadiazole-5-carboxamide (CID 120867431) is N-(4-methoxyphenyl)-3-[2-(methylamino)propyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-[2-(methylamino)propyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-[2-(methylamino)propyl]-1,2,4-oxadiazole-5-carboxamide is CNC(C)Cc1noc(C(=O)Nc2ccc(OC)cc2)n1.
What is the InChIKey of N-(4-methoxyphenyl)-3-[2-(methylamino)propyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is AVZDMPCQVNVZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-9(15-2)8-12-17-14(21-18-12)13(19)16-10-4-6-11(20-3)7-5-10/h4-7,9,15H,8H2,1-3H3,(H,16,19).
What are the key properties of N-(4-methoxyphenyl)-3-[2-(methylamino)propyl]-1,2,4-oxadiazole-5-carboxamide?
N-(4-methoxyphenyl)-3-[2-(methylamino)propyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-[2-(methylamino)propyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 120867431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).