2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide

C15H25N7O2 — CID 25368806

IUPAC2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCC(C)c1cc(CNC(=O)Cn2nnnc2CN(C)C(C)C)on1
InChIInChI=1S/C15H25N7O2/c1-10(2)13-6-12(24-18-13)7-16-15(23)9-22-14(17-19-20-22)8-21(5)11(3)4/h6,10-11H,7-9H2,1-5H3,(H,16,23)
InChIKeyYOSPHCVJEXWDPP-UHFFFAOYSA-N
MW335.41 g/mol
LogP0.94
Rot. Bonds8

About 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide

2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide (PubChem CID 25368806) has the molecular formula C15H25N7O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide
PubChem CID25368806
Molecular FormulaC15H25N7O2
Molecular Weight335.41 g/mol
Exact Mass335.21
IUPAC Name2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCC(C)c1cc(CNC(=O)Cn2nnnc2CN(C)C(C)C)on1
InChIInChI=1S/C15H25N7O2/c1-10(2)13-6-12(24-18-13)7-16-15(23)9-22-14(17-19-20-22)8-21(5)11(3)4/h6,10-11H,7-9H2,1-5H3,(H,16,23)
InChIKeyYOSPHCVJEXWDPP-UHFFFAOYSA-N
XLogP0.94
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 71867907
(4R)-1-[(3-ethylisoxazol-5-yl)methyl]-N-isopropyl-4-[(1H-1,2,4-triazol-5-ylcarbonyl)amino]-L-prolinamide
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N-[(3-ethylisoxazol-5-yl)methyl]-N'-(1-propyl-1H-1,2,4-triazol-3-yl)urea
CID 29092847
N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 75507211
5-isobutyl-N-[2-(1H-tetrazol-1-yl)ethyl]isoxazole-3-carboxamide
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CID 95215298
N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 97138524
3-[(2S)-butan-2-yl]-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 97587022
2-(5-amino-1H-tetrazol-1-yl)-N-[(3-isobutylisoxazol-5-yl)methyl]acetamide
CID 124209324
(7S)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-7-carboxamide
CID 164640207
N-methyl-2-[[N'-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]carbamimidoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 112046574

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide?
The IUPAC name of 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide (CID 25368806) is 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide is CC(C)c1cc(CNC(=O)Cn2nnnc2CN(C)C(C)C)on1.
What is the InChIKey of 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide?
The InChIKey is YOSPHCVJEXWDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N7O2/c1-10(2)13-6-12(24-18-13)7-16-15(23)9-22-14(17-19-20-22)8-21(5)11(3)4/h6,10-11H,7-9H2,1-5H3,(H,16,23).
What are the key properties of 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide?
2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide has a molecular weight of 335.41 g/mol, XLogP of 0.94, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide is sourced from PubChem (CID 25368806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).