1-(5-methyl-1,3-oxazol-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine

C14H16N6O — CID 103893693

IUPAC1-(5-methyl-1,3-oxazol-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
SMILESCc1cnc(C(C)NCc2nnnn2-c2ccccc2)o1
InChIInChI=1S/C14H16N6O/c1-10-8-16-14(21-10)11(2)15-9-13-17-18-19-20(13)12-6-4-3-5-7-12/h3-8,11,15H,9H2,1-2H3
InChIKeyRREWYBMOUSZCQG-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.81
Rot. Bonds5

About 1-(5-methyl-1,3-oxazol-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine

1-(5-methyl-1,3-oxazol-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine (PubChem CID 103893693) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-(5-methyl-1,3-oxazol-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-methyl-1,3-oxazol-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
PubChem CID103893693
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name1-(5-methyl-1,3-oxazol-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
SMILESCc1cnc(C(C)NCc2nnnn2-c2ccccc2)o1
InChIInChI=1S/C14H16N6O/c1-10-8-16-14(21-10)11(2)15-9-13-17-18-19-20(13)12-6-4-3-5-7-12/h3-8,11,15H,9H2,1-2H3
InChIKeyRREWYBMOUSZCQG-UHFFFAOYSA-N
XLogP1.81
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-methylfuran-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 60673289
1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 62627609
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
CID 43467064
N-[(1-phenyltetrazol-5-yl)methyl]pentan-2-amine
CID 60672263
1-(2,4-dichlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 47010886
N-[(2-chlorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893421
1-N,1-N-diethyl-2-N-[(1-phenyltetrazol-5-yl)methyl]propane-1,2-diamine
CID 62627239
N-[(1-phenyltetrazol-5-yl)methyl]-1-[3-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 84598718
(1R)-N-[(1-phenyltetrazol-5-yl)methyl]-1-[4-(triazol-1-yl)phenyl]ethanamine
CID 99851340
1,1-dicyclopropyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 60714049
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
5-(2-bromopropyl)-1-phenyltetrazole
CID 63203207

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3-oxazol-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine?
The IUPAC name of 1-(5-methyl-1,3-oxazol-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine (CID 103893693) is 1-(5-methyl-1,3-oxazol-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 1-(5-methyl-1,3-oxazol-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine?
The canonical SMILES for 1-(5-methyl-1,3-oxazol-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine is Cc1cnc(C(C)NCc2nnnn2-c2ccccc2)o1.
What is the InChIKey of 1-(5-methyl-1,3-oxazol-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine?
The InChIKey is RREWYBMOUSZCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-10-8-16-14(21-10)11(2)15-9-13-17-18-19-20(13)12-6-4-3-5-7-12/h3-8,11,15H,9H2,1-2H3.
What are the key properties of 1-(5-methyl-1,3-oxazol-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine?
1-(5-methyl-1,3-oxazol-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine has a molecular weight of 284.32 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3-oxazol-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 103893693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).