3-(5-methyltetrazol-1-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline

C16H14N6OS — CID 71985226

IUPAC3-(5-methyltetrazol-1-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline
SMILESCc1nnnn1-c1cccc(NCc2ncc(-c3cccs3)o2)c1
InChIInChI=1S/C16H14N6OS/c1-11-19-20-21-22(11)13-5-2-4-12(8-13)17-10-16-18-9-14(23-16)15-6-3-7-24-15/h2-9,17H,10H2,1H3
InChIKeyWQIGCEUAVAFYEH-UHFFFAOYSA-N
MW338.40 g/mol
LogP3.30
Rot. Bonds5

About 3-(5-methyltetrazol-1-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline

3-(5-methyltetrazol-1-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline (PubChem CID 71985226) has the molecular formula C16H14N6OS and a molecular weight of 338.40 g/mol. Its IUPAC name is 3-(5-methyltetrazol-1-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name3-(5-methyltetrazol-1-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline
PubChem CID71985226
Molecular FormulaC16H14N6OS
Molecular Weight338.40 g/mol
Exact Mass338.09
IUPAC Name3-(5-methyltetrazol-1-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline
SMILESCc1nnnn1-c1cccc(NCc2ncc(-c3cccs3)o2)c1
InChIInChI=1S/C16H14N6OS/c1-11-19-20-21-22(11)13-5-2-4-12(8-13)17-10-16-18-9-14(23-16)15-6-3-7-24-15/h2-9,17H,10H2,1H3
InChIKeyWQIGCEUAVAFYEH-UHFFFAOYSA-N
XLogP3.30
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 62350456
N-[(4-bromothiophen-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 43734028
3-(5-methyltetrazol-1-yl)-N-(pyrimidin-5-ylmethyl)aniline
CID 62758600
N-[(3-methylfuran-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 115744001
N-[(1-methylpyrrol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 66398115
3-(5-methyltetrazol-1-yl)-N-prop-2-ynylaniline
CID 63951883
N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 115762802
N-[(1-tert-butylpyrazol-4-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 78887873
3-(5-methyltetrazol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 78882875
N-(2-methylbutyl)-3-(5-methyltetrazol-1-yl)aniline
CID 43733948
N-[(2,3-dimethoxyphenyl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 78882897
N-cyclohexyl-3-(5-methyltetrazol-1-yl)aniline
CID 43733994

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyltetrazol-1-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline?
The IUPAC name of 3-(5-methyltetrazol-1-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline (CID 71985226) is 3-(5-methyltetrazol-1-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline.
What is the SMILES notation for 3-(5-methyltetrazol-1-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline?
The canonical SMILES for 3-(5-methyltetrazol-1-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline is Cc1nnnn1-c1cccc(NCc2ncc(-c3cccs3)o2)c1.
What is the InChIKey of 3-(5-methyltetrazol-1-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline?
The InChIKey is WQIGCEUAVAFYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS/c1-11-19-20-21-22(11)13-5-2-4-12(8-13)17-10-16-18-9-14(23-16)15-6-3-7-24-15/h2-9,17H,10H2,1H3.
What are the key properties of 3-(5-methyltetrazol-1-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline?
3-(5-methyltetrazol-1-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline has a molecular weight of 338.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyltetrazol-1-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline is sourced from PubChem (CID 71985226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).