N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(5-methyltetrazol-1-yl)acetamide

C11H15N5O2 — CID 56866880

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(5-methyltetrazol-1-yl)acetamide
SMILESCc1ccc(CN(C)C(=O)Cn2nnnc2C)o1
InChIInChI=1S/C11H15N5O2/c1-8-4-5-10(18-8)6-15(3)11(17)7-16-9(2)12-13-14-16/h4-5H,6-7H2,1-3H3
InChIKeyLCGICEOBBCLJKH-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.54
Rot. Bonds4

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(5-methyltetrazol-1-yl)acetamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(5-methyltetrazol-1-yl)acetamide (PubChem CID 56866880) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(5-methyltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(5-methyltetrazol-1-yl)acetamide
PubChem CID56866880
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(5-methyltetrazol-1-yl)acetamide
SMILESCc1ccc(CN(C)C(=O)Cn2nnnc2C)o1
InChIInChI=1S/C11H15N5O2/c1-8-4-5-10(18-8)6-15(3)11(17)7-16-9(2)12-13-14-16/h4-5H,6-7H2,1-3H3
InChIKeyLCGICEOBBCLJKH-UHFFFAOYSA-N
XLogP0.54
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-formyltriazol-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 66214992
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 27944743
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 27128819
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 40741981
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 60852335
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 43035572
3-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]sulfanylbutanoic acid
CID 66137138
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 60666714
(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61146960
3-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 115173902
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 78791590

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(5-methyltetrazol-1-yl)acetamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(5-methyltetrazol-1-yl)acetamide (CID 56866880) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(5-methyltetrazol-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(5-methyltetrazol-1-yl)acetamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(5-methyltetrazol-1-yl)acetamide is Cc1ccc(CN(C)C(=O)Cn2nnnc2C)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(5-methyltetrazol-1-yl)acetamide?
The InChIKey is LCGICEOBBCLJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-8-4-5-10(18-8)6-15(3)11(17)7-16-9(2)12-13-14-16/h4-5H,6-7H2,1-3H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(5-methyltetrazol-1-yl)acetamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(5-methyltetrazol-1-yl)acetamide has a molecular weight of 249.27 g/mol, XLogP of 0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(5-methyltetrazol-1-yl)acetamide is sourced from PubChem (CID 56866880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).