N-methyl-4-[(5-methyltetrazol-1-yl)methyl]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide

C16H18N6O2 — CID 119068130

IUPACN-methyl-4-[(5-methyltetrazol-1-yl)methyl]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
SMILESCc1nnnn1Cc1ccc(C(=O)N(C)C(C)c2ccon2)cc1
InChIInChI=1S/C16H18N6O2/c1-11(15-8-9-24-18-15)21(3)16(23)14-6-4-13(5-7-14)10-22-12(2)17-19-20-22/h4-9,11H,10H2,1-3H3
InChIKeyVGEGILNMQFYKAS-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.85
Rot. Bonds5

About N-methyl-4-[(5-methyltetrazol-1-yl)methyl]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide

N-methyl-4-[(5-methyltetrazol-1-yl)methyl]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide (PubChem CID 119068130) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-methyl-4-[(5-methyltetrazol-1-yl)methyl]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(5-methyltetrazol-1-yl)methyl]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
PubChem CID119068130
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC NameN-methyl-4-[(5-methyltetrazol-1-yl)methyl]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
SMILESCc1nnnn1Cc1ccc(C(=O)N(C)C(C)c2ccon2)cc1
InChIInChI=1S/C16H18N6O2/c1-11(15-8-9-24-18-15)21(3)16(23)14-6-4-13(5-7-14)10-22-12(2)17-19-20-22/h4-9,11H,10H2,1-3H3
InChIKeyVGEGILNMQFYKAS-UHFFFAOYSA-N
XLogP1.85
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[(5-methyltetrazol-1-yl)methyl]benzoate
CID 90642861
3-(2-aminoethoxy)-N,4-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 118793692
3-(2-aminoethoxy)-N,4-dimethyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 126452166
2-[(4-methoxyphenyl)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 24790227
N-butyl-N-(furan-2-ylmethyl)-4-[(5-methyltetrazol-1-yl)methyl]benzamide
CID 46986640
N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 97209998
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 95228851
2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide
CID 99947653
3-(cyclopentanecarbonylamino)-N,4-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 50980547
4-(benzotriazol-1-ylmethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylbenzamide
CID 43057973
N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 95136559
2-anilino-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 72911581

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(5-methyltetrazol-1-yl)methyl]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide?
The IUPAC name of N-methyl-4-[(5-methyltetrazol-1-yl)methyl]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide (CID 119068130) is N-methyl-4-[(5-methyltetrazol-1-yl)methyl]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide.
What is the SMILES notation for N-methyl-4-[(5-methyltetrazol-1-yl)methyl]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide?
The canonical SMILES for N-methyl-4-[(5-methyltetrazol-1-yl)methyl]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide is Cc1nnnn1Cc1ccc(C(=O)N(C)C(C)c2ccon2)cc1.
What is the InChIKey of N-methyl-4-[(5-methyltetrazol-1-yl)methyl]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide?
The InChIKey is VGEGILNMQFYKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-11(15-8-9-24-18-15)21(3)16(23)14-6-4-13(5-7-14)10-22-12(2)17-19-20-22/h4-9,11H,10H2,1-3H3.
What are the key properties of N-methyl-4-[(5-methyltetrazol-1-yl)methyl]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide?
N-methyl-4-[(5-methyltetrazol-1-yl)methyl]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide has a molecular weight of 326.36 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(5-methyltetrazol-1-yl)methyl]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 119068130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).