cyclopropyl-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone

C14H17N3O2 — CID 79096993

IUPACcyclopropyl-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone
SMILESCCCc1noc(Cn2ccc(C(=O)C3CC3)c2)n1
InChIInChI=1S/C14H17N3O2/c1-2-3-12-15-13(19-16-12)9-17-7-6-11(8-17)14(18)10-4-5-10/h6-8,10H,2-5,9H2,1H3
InChIKeyJIHBMGDJYOEGIE-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.46
Rot. Bonds6

About cyclopropyl-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone

cyclopropyl-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone (PubChem CID 79096993) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is cyclopropyl-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone
PubChem CID79096993
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Namecyclopropyl-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone
SMILESCCCc1noc(Cn2ccc(C(=O)C3CC3)c2)n1
InChIInChI=1S/C14H17N3O2/c1-2-3-12-15-13(19-16-12)9-17-7-6-11(8-17)14(18)10-4-5-10/h6-8,10H,2-5,9H2,1H3
InChIKeyJIHBMGDJYOEGIE-UHFFFAOYSA-N
XLogP2.46
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropyl-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]methanone
CID 79097838
N,2-dimethyl-1-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79096970
cyclopropyl-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanone
CID 79096916
2-methyl-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66405412
[(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 26408898
(1-methylimidazol-2-yl)-[(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 42147518
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid
CID 63750375
2-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-one
CID 79109764
2-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
CID 83207384
N-methyl-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105863
ethyl 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylate
CID 60722255
cyclopropyl-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]methanone
CID 79097328

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone?
The IUPAC name of cyclopropyl-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone (CID 79096993) is cyclopropyl-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone.
What is the SMILES notation for cyclopropyl-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone?
The canonical SMILES for cyclopropyl-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone is CCCc1noc(Cn2ccc(C(=O)C3CC3)c2)n1.
What is the InChIKey of cyclopropyl-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone?
The InChIKey is JIHBMGDJYOEGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-3-12-15-13(19-16-12)9-17-7-6-11(8-17)14(18)10-4-5-10/h6-8,10H,2-5,9H2,1H3.
What are the key properties of cyclopropyl-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone?
cyclopropyl-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone has a molecular weight of 259.31 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone is sourced from PubChem (CID 79096993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).