5-cyclopropyl-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole

C13H16N4O — CID 126900314

IUPAC5-cyclopropyl-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole
SMILESc1cnn(C2CN(Cc3ncc(C4CC4)o3)C2)c1
InChIInChI=1S/C13H16N4O/c1-4-15-17(5-1)11-7-16(8-11)9-13-14-6-12(18-13)10-2-3-10/h1,4-6,10-11H,2-3,7-9H2
InChIKeyBVJMLQCEUAFLJM-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.81
Rot. Bonds4

About 5-cyclopropyl-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole

5-cyclopropyl-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole (PubChem CID 126900314) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-cyclopropyl-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole
PubChem CID126900314
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-cyclopropyl-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole
SMILESc1cnn(C2CN(Cc3ncc(C4CC4)o3)C2)c1
InChIInChI=1S/C13H16N4O/c1-4-15-17(5-1)11-7-16(8-11)9-13-14-6-12(18-13)10-2-3-10/h1,4-6,10-11H,2-3,7-9H2
InChIKeyBVJMLQCEUAFLJM-UHFFFAOYSA-N
XLogP1.81
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole
CID 56781184
5-cyclopropyl-2-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole
CID 126893542
2-cyclopropyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole
CID 126900196
5-cyclopropyl-3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
CID 56781190
5-cyclopropyl-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole
CID 126893083
1-[1-[1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126948742
2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole
CID 126900246
1-cyclopropyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazole
CID 126900325
1-[1-(oxan-4-ylmethyl)azetidin-3-yl]pyrazole
CID 126900374
2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole
CID 126900310
2-methyl-5-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 126946539
5-cyclopropyl-2-[[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole
CID 126934092

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 5-cyclopropyl-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole (CID 126900314) is 5-cyclopropyl-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 5-cyclopropyl-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 5-cyclopropyl-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole is c1cnn(C2CN(Cc3ncc(C4CC4)o3)C2)c1.
What is the InChIKey of 5-cyclopropyl-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole?
The InChIKey is BVJMLQCEUAFLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-4-15-17(5-1)11-7-16(8-11)9-13-14-6-12(18-13)10-2-3-10/h1,4-6,10-11H,2-3,7-9H2.
What are the key properties of 5-cyclopropyl-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole?
5-cyclopropyl-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole has a molecular weight of 244.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 126900314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).