(2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide

C18H27N5O2 — CID 95297977

IUPAC(2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
SMILESCCCC[C@@H](C(=O)Nc1cc(C)on1)N1CC(n2nc(C)cc2C)C1
InChIInChI=1S/C18H27N5O2/c1-5-6-7-16(18(24)19-17-9-14(4)25-21-17)22-10-15(11-22)23-13(3)8-12(2)20-23/h8-9,15-16H,5-7,10-11H2,1-4H3,(H,19,21,24)/t16-/m0/s1
InChIKeyWQFUDKTUBBCYAQ-INIZCTEOSA-N
MW345.45 g/mol
LogP2.85
Rot. Bonds7

About (2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide

(2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide (PubChem CID 95297977) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is (2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide.

Molecular Properties

Compound Name(2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
PubChem CID95297977
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name(2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
SMILESCCCC[C@@H](C(=O)Nc1cc(C)on1)N1CC(n2nc(C)cc2C)C1
InChIInChI=1S/C18H27N5O2/c1-5-6-7-16(18(24)19-17-9-14(4)25-21-17)22-10-15(11-22)23-13(3)8-12(2)20-23/h8-9,15-16H,5-7,10-11H2,1-4H3,(H,19,21,24)/t16-/m0/s1
InChIKeyWQFUDKTUBBCYAQ-INIZCTEOSA-N
XLogP2.85
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide?
The IUPAC name of (2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide (CID 95297977) is (2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide.
What is the SMILES notation for (2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide?
The canonical SMILES for (2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide is CCCC[C@@H](C(=O)Nc1cc(C)on1)N1CC(n2nc(C)cc2C)C1.
What is the InChIKey of (2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide?
The InChIKey is WQFUDKTUBBCYAQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-5-6-7-16(18(24)19-17-9-14(4)25-21-17)22-10-15(11-22)23-13(3)8-12(2)20-23/h8-9,15-16H,5-7,10-11H2,1-4H3,(H,19,21,24)/t16-/m0/s1.
What are the key properties of (2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide?
(2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide has a molecular weight of 345.45 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide is sourced from PubChem (CID 95297977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).