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

C12H13N3O3 — CID 110691868

IUPACN-[(4-methoxyphenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2nonc2C)cc1
InChIInChI=1S/C12H13N3O3/c1-8-11(15-18-14-8)12(16)13-7-9-3-5-10(17-2)6-4-9/h3-6H,7H2,1-2H3,(H,13,16)
InChIKeyDDSRDTAAKUYRRO-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.32
Rot. Bonds4

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

N-[(4-methoxyphenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 110691868) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID110691868
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2nonc2C)cc1
InChIInChI=1S/C12H13N3O3/c1-8-11(15-18-14-8)12(16)13-7-9-3-5-10(17-2)6-4-9/h3-6H,7H2,1-2H3,(H,13,16)
InChIKeyDDSRDTAAKUYRRO-UHFFFAOYSA-N
XLogP1.32
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]furan-2-carboxamide
CID 131941260
N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465620
N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 110693720
N-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 7576735
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 30272063
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
2,6-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 58981626
N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 7959658
N-[(4-methoxyphenyl)methyl]-4-methylpyridine-2-carboxamide
CID 110851612
6-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 66462090
N-[(4-methoxyphenyl)methyl]-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 46093945

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 110691868) is N-[(4-methoxyphenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is COc1ccc(CNC(=O)c2nonc2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is DDSRDTAAKUYRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-8-11(15-18-14-8)12(16)13-7-9-3-5-10(17-2)6-4-9/h3-6H,7H2,1-2H3,(H,13,16).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 247.25 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 110691868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).