N,N-diethyl-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide

C14H17N3O2 — CID 110391105

IUPACN,N-diethyl-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCCN(CC)C(=O)c1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C14H17N3O2/c1-4-17(5-2)14(18)13-16-15-12(19-13)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3
InChIKeyLRQXYACFHDSNFS-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.53
Rot. Bonds4

About N,N-diethyl-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide

N,N-diethyl-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110391105) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N,N-diethyl-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110391105
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN,N-diethyl-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCCN(CC)C(=O)c1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C14H17N3O2/c1-4-17(5-2)14(18)13-16-15-12(19-13)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3
InChIKeyLRQXYACFHDSNFS-UHFFFAOYSA-N
XLogP2.53
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylphenyl)-N,N-dipropyl-1,3,4-oxadiazole-2-carboxamide
CID 110391117
N-ethyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methylprop-2-enyl)benzamide
CID 134008813
5-(2-chlorophenyl)-N,N-diethyl-1,3,4-oxadiazole-2-carboxamide
CID 110391269
N-ethyl-N,5-diphenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390946
N-methyl-5-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391082
N-ethyl-5-(4-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110392696
ethyl 5-(4-aminophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 70211595
ethyl 5-(4-ethylphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112685410
N-[2-(diethylamino)-2-oxoethyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 48503696
N,N-diethyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 55629971
5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391121
N,N-diethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide
CID 51209317

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N,N-diethyl-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110391105) is N,N-diethyl-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N,N-diethyl-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N,N-diethyl-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide is CCN(CC)C(=O)c1nnc(-c2ccc(C)cc2)o1.
What is the InChIKey of N,N-diethyl-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is LRQXYACFHDSNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-4-17(5-2)14(18)13-16-15-12(19-13)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide?
N,N-diethyl-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110391105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).