N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,2-oxazolidin-2-yl)propanamide

C17H25N7O2 — CID 91761053

IUPACN-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,2-oxazolidin-2-yl)propanamide
SMILESCn1c(Cn2cccn2)nnc1C1CC(NC(=O)CCN2CCCO2)C1
InChIInChI=1S/C17H25N7O2/c1-22-15(12-23-6-2-5-18-23)20-21-17(22)13-10-14(11-13)19-16(25)4-8-24-7-3-9-26-24/h2,5-6,13-14H,3-4,7-12H2,1H3,(H,19,25)
InChIKeyBRDLBVROEVTLEK-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.45
Rot. Bonds7

About N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,2-oxazolidin-2-yl)propanamide

N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,2-oxazolidin-2-yl)propanamide (PubChem CID 91761053) has the molecular formula C17H25N7O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,2-oxazolidin-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,2-oxazolidin-2-yl)propanamide
PubChem CID91761053
Molecular FormulaC17H25N7O2
Molecular Weight359.43 g/mol
Exact Mass359.21
IUPAC NameN-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,2-oxazolidin-2-yl)propanamide
SMILESCn1c(Cn2cccn2)nnc1C1CC(NC(=O)CCN2CCCO2)C1
InChIInChI=1S/C17H25N7O2/c1-22-15(12-23-6-2-5-18-23)20-21-17(22)13-10-14(11-13)19-16(25)4-8-24-7-3-9-26-24/h2,5-6,13-14H,3-4,7-12H2,1H3,(H,19,25)
InChIKeyBRDLBVROEVTLEK-UHFFFAOYSA-N
XLogP0.45
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,2-oxazolidin-2-yl)propanamide?
The IUPAC name of N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,2-oxazolidin-2-yl)propanamide (CID 91761053) is N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,2-oxazolidin-2-yl)propanamide.
What is the SMILES notation for N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,2-oxazolidin-2-yl)propanamide?
The canonical SMILES for N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,2-oxazolidin-2-yl)propanamide is Cn1c(Cn2cccn2)nnc1C1CC(NC(=O)CCN2CCCO2)C1.
What is the InChIKey of N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,2-oxazolidin-2-yl)propanamide?
The InChIKey is BRDLBVROEVTLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O2/c1-22-15(12-23-6-2-5-18-23)20-21-17(22)13-10-14(11-13)19-16(25)4-8-24-7-3-9-26-24/h2,5-6,13-14H,3-4,7-12H2,1H3,(H,19,25).
What are the key properties of N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,2-oxazolidin-2-yl)propanamide?
N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,2-oxazolidin-2-yl)propanamide has a molecular weight of 359.43 g/mol, XLogP of 0.45, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,2-oxazolidin-2-yl)propanamide is sourced from PubChem (CID 91761053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).