5-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-oxazol-3-amine

C14H14N4O2 — CID 110652106

IUPAC5-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-oxazol-3-amine
SMILESCc1cc(NCc2nnc(-c3ccccc3C)o2)no1
InChIInChI=1S/C14H14N4O2/c1-9-5-3-4-6-11(9)14-17-16-13(19-14)8-15-12-7-10(2)20-18-12/h3-7H,8H2,1-2H3,(H,15,18)
InChIKeyDZQCRNPKROCWQO-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.95
Rot. Bonds4

About 5-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-oxazol-3-amine

5-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-oxazol-3-amine (PubChem CID 110652106) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-oxazol-3-amine
PubChem CID110652106
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name5-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-oxazol-3-amine
SMILESCc1cc(NCc2nnc(-c3ccccc3C)o2)no1
InChIInChI=1S/C14H14N4O2/c1-9-5-3-4-6-11(9)14-17-16-13(19-14)8-15-12-7-10(2)20-18-12/h3-7H,8H2,1-2H3,(H,15,18)
InChIKeyDZQCRNPKROCWQO-UHFFFAOYSA-N
XLogP2.95
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-difluoro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652104
3,4-difluoro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652105
1-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
CID 99633329
2,4-dimethoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652051
4-N,4-N-diethyl-1-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine
CID 110652066
1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylurea
CID 110319278
3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319345
5-chloro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide
CID 110319343
4-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319256
N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-4-carboxamide
CID 110319287
2-(methoxymethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 53017493
3-chloro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319283

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-oxazol-3-amine (CID 110652106) is 5-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-oxazol-3-amine is Cc1cc(NCc2nnc(-c3ccccc3C)o2)no1.
What is the InChIKey of 5-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-oxazol-3-amine?
The InChIKey is DZQCRNPKROCWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-9-5-3-4-6-11(9)14-17-16-13(19-14)8-15-12-7-10(2)20-18-12/h3-7H,8H2,1-2H3,(H,15,18).
What are the key properties of 5-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-oxazol-3-amine?
5-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-oxazol-3-amine has a molecular weight of 270.29 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 110652106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).