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

C15H19N3O3 — CID 56865237

IUPACN-[(4-methoxyphenyl)methyl]-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide
SMILESCCCc1nnc(C(=O)N(C)Cc2ccc(OC)cc2)o1
InChIInChI=1S/C15H19N3O3/c1-4-5-13-16-17-14(21-13)15(19)18(2)10-11-6-8-12(20-3)9-7-11/h6-9H,4-5,10H2,1-3H3
InChIKeyKCVHYSMGXHJMDQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.30
Rot. Bonds6

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

N-[(4-methoxyphenyl)methyl]-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 56865237) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID56865237
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide
SMILESCCCc1nnc(C(=O)N(C)Cc2ccc(OC)cc2)o1
InChIInChI=1S/C15H19N3O3/c1-4-5-13-16-17-14(21-13)15(19)18(2)10-11-6-8-12(20-3)9-7-11/h6-9H,4-5,10H2,1-3H3
InChIKeyKCVHYSMGXHJMDQ-UHFFFAOYSA-N
XLogP2.30
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxylate
CID 112618989
5-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 56867370
N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 86975589
1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea
CID 115575178
2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60631214
7-methoxy-N-[(4-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 124505008
6-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 63979680
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
2-amino-2-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 79810054
1-[(4-methoxyphenyl)methyl]-1-methyl-3-propylthiourea
CID 113218431
2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60631218
4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 23508555

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide (CID 56865237) is N-[(4-methoxyphenyl)methyl]-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide is CCCc1nnc(C(=O)N(C)Cc2ccc(OC)cc2)o1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is KCVHYSMGXHJMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-5-13-16-17-14(21-13)15(19)18(2)10-11-6-8-12(20-3)9-7-11/h6-9H,4-5,10H2,1-3H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide?
N-[(4-methoxyphenyl)methyl]-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 56865237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).