3-methyl-5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole

C13H13N5O — CID 18099850

IUPAC3-methyl-5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole
SMILESCc1ccc(-c2nnn(Cc3cc(C)no3)n2)cc1
InChIInChI=1S/C13H13N5O/c1-9-3-5-11(6-4-9)13-14-17-18(15-13)8-12-7-10(2)16-19-12/h3-7H,8H2,1-2H3
InChIKeyALYDQJCQCFPXKT-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.99
Rot. Bonds3

About 3-methyl-5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole

3-methyl-5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole (PubChem CID 18099850) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-methyl-5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole
PubChem CID18099850
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name3-methyl-5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole
SMILESCc1ccc(-c2nnn(Cc3cc(C)no3)n2)cc1
InChIInChI=1S/C13H13N5O/c1-9-3-5-11(6-4-9)13-14-17-18(15-13)8-12-7-10(2)16-19-12/h3-7H,8H2,1-2H3
InChIKeyALYDQJCQCFPXKT-UHFFFAOYSA-N
XLogP1.99
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole
CID 47014414
2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 78835628
2-[(3,4-dichlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
CID 7465665
2-[(2-methoxy-5-methylphenyl)methyl]-5-(4-methylphenyl)tetrazole
CID 7630474
2-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
CID 7465674
2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid
CID 701825
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 51269605
2-N,2-N-dimethyl-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 38870062
[3-methyl-5-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine
CID 62449218
2-(3-methoxyphenyl)-4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazole
CID 46582916
5-(4-methylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]tetrazole
CID 7465761
5-[(5-phenyltetrazol-2-yl)methyl]thiophen-2-amine
CID 124530595

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole (CID 18099850) is 3-methyl-5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole is Cc1ccc(-c2nnn(Cc3cc(C)no3)n2)cc1.
What is the InChIKey of 3-methyl-5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole?
The InChIKey is ALYDQJCQCFPXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-9-3-5-11(6-4-9)13-14-17-18(15-13)8-12-7-10(2)16-19-12/h3-7H,8H2,1-2H3.
What are the key properties of 3-methyl-5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole?
3-methyl-5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole has a molecular weight of 255.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 18099850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).