1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile

C14H15N5O2 — CID 126947583

IUPAC1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
SMILESCc1noc(C)c1C(=O)N1CCC(n2cc(C#N)cn2)C1
InChIInChI=1S/C14H15N5O2/c1-9-13(10(2)21-17-9)14(20)18-4-3-12(8-18)19-7-11(5-15)6-16-19/h6-7,12H,3-4,8H2,1-2H3
InChIKeyLDRDFHSCCLHGLR-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.45
Rot. Bonds2

About 1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile

1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile (PubChem CID 126947583) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
PubChem CID126947583
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
SMILESCc1noc(C)c1C(=O)N1CCC(n2cc(C#N)cn2)C1
InChIInChI=1S/C14H15N5O2/c1-9-13(10(2)21-17-9)14(20)18-4-3-12(8-18)19-7-11(5-15)6-16-19/h6-7,12H,3-4,8H2,1-2H3
InChIKeyLDRDFHSCCLHGLR-UHFFFAOYSA-N
XLogP1.45
TPSA87.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948169
tert-butyl (3S)-3-(4-cyanopyrazol-1-yl)pyrrolidine-1-carboxylate
CID 172557595
1-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947579
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonitrile
CID 49063486
1-[1-(1H-indole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947621
1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900489
4-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,4-diazepane-1-carbonyl]benzonitrile
CID 137342905
1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947684
1-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947693
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 110104637
[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 124967024
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methanone
CID 126947170

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
The IUPAC name of 1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile (CID 126947583) is 1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile is Cc1noc(C)c1C(=O)N1CCC(n2cc(C#N)cn2)C1.
What is the InChIKey of 1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
The InChIKey is LDRDFHSCCLHGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-9-13(10(2)21-17-9)14(20)18-4-3-12(8-18)19-7-11(5-15)6-16-19/h6-7,12H,3-4,8H2,1-2H3.
What are the key properties of 1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile has a molecular weight of 285.31 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 126947583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).