N-(azetidin-3-ylmethyl)-N-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropyl]acetamide

C20H25N3O2 — CID 167573478

IUPACN-(azetidin-3-ylmethyl)-N-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropyl]acetamide
SMILESCC(=O)N(CC1CNC1)C1CC1c1ccc(-c2c(C)noc2C)cc1
InChIInChI=1S/C20H25N3O2/c1-12-20(13(2)25-22-12)17-6-4-16(5-7-17)18-8-19(18)23(14(3)24)11-15-9-21-10-15/h4-7,15,18-19,21H,8-11H2,1-3H3
InChIKeyGFIJJUIWMGJWHH-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.88
Rot. Bonds5

About N-(azetidin-3-ylmethyl)-N-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropyl]acetamide

N-(azetidin-3-ylmethyl)-N-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropyl]acetamide (PubChem CID 167573478) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-N-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-N-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropyl]acetamide
PubChem CID167573478
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-(azetidin-3-ylmethyl)-N-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropyl]acetamide
SMILESCC(=O)N(CC1CNC1)C1CC1c1ccc(-c2c(C)noc2C)cc1
InChIInChI=1S/C20H25N3O2/c1-12-20(13(2)25-22-12)17-6-4-16(5-7-17)18-8-19(18)23(14(3)24)11-15-9-21-10-15/h4-7,15,18-19,21H,8-11H2,1-3H3
InChIKeyGFIJJUIWMGJWHH-UHFFFAOYSA-N
XLogP2.88
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azetidin-3-ylmethyl)-N-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropyl]-2,2,2-trifluoroacetamide;ethane
CID 145400516
4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,3-oxazolidin-2-one
CID 170343835
4-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
CID 11651288
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789
(4R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid
CID 170343843
4-[1-[N-(azetidin-3-ylmethyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylanilino]cyclopropyl]benzonitrile
CID 175070452
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzaldehyde
CID 51063711
1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-(2,2-dimethylpropyl)urea
CID 110669925
5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride
CID 90235203
[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methanamine;hydrochloride
CID 155943661
[1,1-dicyclopropyl-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-3-oxopropan-2-yl]carbamic acid
CID 154944157
cyclopropylmethyl-[2-[4-(1H-pyrazole-4-carbonylamino)phenyl]cyclopropyl]carbamic acid
CID 90214357

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-N-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropyl]acetamide?
The IUPAC name of N-(azetidin-3-ylmethyl)-N-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropyl]acetamide (CID 167573478) is N-(azetidin-3-ylmethyl)-N-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropyl]acetamide.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-N-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropyl]acetamide?
The canonical SMILES for N-(azetidin-3-ylmethyl)-N-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropyl]acetamide is CC(=O)N(CC1CNC1)C1CC1c1ccc(-c2c(C)noc2C)cc1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-N-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropyl]acetamide?
The InChIKey is GFIJJUIWMGJWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-12-20(13(2)25-22-12)17-6-4-16(5-7-17)18-8-19(18)23(14(3)24)11-15-9-21-10-15/h4-7,15,18-19,21H,8-11H2,1-3H3.
What are the key properties of N-(azetidin-3-ylmethyl)-N-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropyl]acetamide?
N-(azetidin-3-ylmethyl)-N-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropyl]acetamide has a molecular weight of 339.44 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-N-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropyl]acetamide is sourced from PubChem (CID 167573478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).