1-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carbonitrile

C14H15N5O — CID 126900756

IUPAC1-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CN(Cc3cc(C4CC4)on3)C2)c1
InChIInChI=1S/C14H15N5O/c15-4-10-5-16-19(6-10)13-8-18(9-13)7-12-3-14(20-17-12)11-1-2-11/h3,5-6,11,13H,1-2,7-9H2
InChIKeyVLVPJNHMLIYJOR-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.68
Rot. Bonds4

About 1-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carbonitrile

1-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carbonitrile (PubChem CID 126900756) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carbonitrile
PubChem CID126900756
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name1-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CN(Cc3cc(C4CC4)on3)C2)c1
InChIInChI=1S/C14H15N5O/c15-4-10-5-16-19(6-10)13-8-18(9-13)7-12-3-14(20-17-12)11-1-2-11/h3,5-6,11,13H,1-2,7-9H2
InChIKeyVLVPJNHMLIYJOR-UHFFFAOYSA-N
XLogP1.68
TPSA70.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carbonitrile with MolForge

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Related Compounds

5-cyclopropyl-3-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 126947443
1-[1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900714
1-[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900704
1-[1-(oxan-4-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900794
1-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947753
1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947684
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900673
1-[1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947766
5-cyclopropyl-3-[[3-(difluoromethyl)azetidin-1-yl]methyl]-1,2-oxazole
CID 171994431
5-cyclopropyl-3-(pyrrolidin-1-ylmethyl)-1,2-oxazole
CID 53017343
1-cyclobutylpyrazole-4-carbonitrile
CID 105429045
1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900685

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carbonitrile?
The IUPAC name of 1-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carbonitrile (CID 126900756) is 1-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 1-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carbonitrile is N#Cc1cnn(C2CN(Cc3cc(C4CC4)on3)C2)c1.
What is the InChIKey of 1-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carbonitrile?
The InChIKey is VLVPJNHMLIYJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c15-4-10-5-16-19(6-10)13-8-18(9-13)7-12-3-14(20-17-12)11-1-2-11/h3,5-6,11,13H,1-2,7-9H2.
What are the key properties of 1-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carbonitrile?
1-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carbonitrile has a molecular weight of 269.31 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 126900756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).