N-[[1-(3,4-dimethyl-1,2-oxazol-5-yl)tetrazol-5-yl]methyl]-1-(4-methoxyphenyl)ethanamine

C16H20N6O2 — CID 3874653

IUPACN-[[1-(3,4-dimethyl-1,2-oxazol-5-yl)tetrazol-5-yl]methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)NCc2nnnn2-c2onc(C)c2C)cc1
InChIInChI=1S/C16H20N6O2/c1-10-11(2)19-24-16(10)22-15(18-20-21-22)9-17-12(3)13-5-7-14(23-4)8-6-13/h5-8,12,17H,9H2,1-4H3
InChIKeyVTJOAKUYHQXZJZ-UHFFFAOYSA-N
MW328.38 g/mol
LogP2.13
Rot. Bonds6

About N-[[1-(3,4-dimethyl-1,2-oxazol-5-yl)tetrazol-5-yl]methyl]-1-(4-methoxyphenyl)ethanamine

N-[[1-(3,4-dimethyl-1,2-oxazol-5-yl)tetrazol-5-yl]methyl]-1-(4-methoxyphenyl)ethanamine (PubChem CID 3874653) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[[1-(3,4-dimethyl-1,2-oxazol-5-yl)tetrazol-5-yl]methyl]-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[[1-(3,4-dimethyl-1,2-oxazol-5-yl)tetrazol-5-yl]methyl]-1-(4-methoxyphenyl)ethanamine
PubChem CID3874653
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC NameN-[[1-(3,4-dimethyl-1,2-oxazol-5-yl)tetrazol-5-yl]methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)NCc2nnnn2-c2onc(C)c2C)cc1
InChIInChI=1S/C16H20N6O2/c1-10-11(2)19-24-16(10)22-15(18-20-21-22)9-17-12(3)13-5-7-14(23-4)8-6-13/h5-8,12,17H,9H2,1-4H3
InChIKeyVTJOAKUYHQXZJZ-UHFFFAOYSA-N
XLogP2.13
TPSA90.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[1-(3,4-dimethyl-1,2-oxazol-5-yl)tetrazol-5-yl]methyl]-1-(4-methoxyphenyl)ethanamine with MolForge

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Related Compounds

(1R)-1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 81371019
(1R)-1-(4-methoxyphenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042566
ethyl 4-[5-[[1-(4-methoxyphenyl)ethylamino]methyl]tetrazol-1-yl]piperidine-1-carboxylate
CID 3702393
(1R)-N-[(1-phenyltetrazol-5-yl)methyl]-1-[4-(triazol-1-yl)phenyl]ethanamine
CID 99851340
(1R)-N-[(2,3-dimethylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371074
N-[[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62737204
1-(4-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 66243851
(1R)-1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 81370537
1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62048402
(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81370937
N-[[1-(2-chloro-5-methoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62761535
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 79236329

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethyl-1,2-oxazol-5-yl)tetrazol-5-yl]methyl]-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of N-[[1-(3,4-dimethyl-1,2-oxazol-5-yl)tetrazol-5-yl]methyl]-1-(4-methoxyphenyl)ethanamine (CID 3874653) is N-[[1-(3,4-dimethyl-1,2-oxazol-5-yl)tetrazol-5-yl]methyl]-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[[1-(3,4-dimethyl-1,2-oxazol-5-yl)tetrazol-5-yl]methyl]-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for N-[[1-(3,4-dimethyl-1,2-oxazol-5-yl)tetrazol-5-yl]methyl]-1-(4-methoxyphenyl)ethanamine is COc1ccc(C(C)NCc2nnnn2-c2onc(C)c2C)cc1.
What is the InChIKey of N-[[1-(3,4-dimethyl-1,2-oxazol-5-yl)tetrazol-5-yl]methyl]-1-(4-methoxyphenyl)ethanamine?
The InChIKey is VTJOAKUYHQXZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-10-11(2)19-24-16(10)22-15(18-20-21-22)9-17-12(3)13-5-7-14(23-4)8-6-13/h5-8,12,17H,9H2,1-4H3.
What are the key properties of N-[[1-(3,4-dimethyl-1,2-oxazol-5-yl)tetrazol-5-yl]methyl]-1-(4-methoxyphenyl)ethanamine?
N-[[1-(3,4-dimethyl-1,2-oxazol-5-yl)tetrazol-5-yl]methyl]-1-(4-methoxyphenyl)ethanamine has a molecular weight of 328.38 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethyl-1,2-oxazol-5-yl)tetrazol-5-yl]methyl]-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 3874653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).