N-butyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide

C14H17N3O3 — CID 110391649

IUPACN-butyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCCCCNC(=O)c1nnc(-c2ccccc2OC)o1
InChIInChI=1S/C14H17N3O3/c1-3-4-9-15-12(18)14-17-16-13(20-14)10-7-5-6-8-11(10)19-2/h5-8H,3-4,9H2,1-2H3,(H,15,18)
InChIKeyJVCBWRQKVSNVBG-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.28
Rot. Bonds6

About N-butyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide

N-butyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110391649) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-butyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110391649
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-butyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCCCCNC(=O)c1nnc(-c2ccccc2OC)o1
InChIInChI=1S/C14H17N3O3/c1-3-4-9-15-12(18)14-17-16-13(20-14)10-7-5-6-8-11(10)19-2/h5-8H,3-4,9H2,1-2H3,(H,15,18)
InChIKeyJVCBWRQKVSNVBG-UHFFFAOYSA-N
XLogP2.28
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methoxyphenyl)-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391659
N-benzyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391670
5-(2-chlorophenyl)-N-pentyl-1,3,4-oxadiazole-2-carboxamide
CID 110391277
N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391702
5-(2-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391733
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pentylacetamide
CID 78815174
5-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391661
N-(4-fluorophenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391757
methyl 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
CID 110391791
methyl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
CID 110391789
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 3359112
N-(2-methoxy-5-methylphenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391776

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-butyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110391649) is N-butyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-butyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-butyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is CCCCNC(=O)c1nnc(-c2ccccc2OC)o1.
What is the InChIKey of N-butyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is JVCBWRQKVSNVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-4-9-15-12(18)14-17-16-13(20-14)10-7-5-6-8-11(10)19-2/h5-8H,3-4,9H2,1-2H3,(H,15,18).
What are the key properties of N-butyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
N-butyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110391649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).