1-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

C17H24N8O2 — CID 91921534

IUPAC1-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESO=C(CCn1cnnn1)N1CC(c2noc(C3CCCN3CC3CC3)n2)C1
InChIInChI=1S/C17H24N8O2/c26-15(5-7-25-11-18-21-22-25)24-9-13(10-24)16-19-17(27-20-16)14-2-1-6-23(14)8-12-3-4-12/h11-14H,1-10H2
InChIKeyFGICTLQMHLQMRO-UHFFFAOYSA-N
MW372.43 g/mol
LogP0.62
Rot. Bonds7

About 1-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

1-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (PubChem CID 91921534) has the molecular formula C17H24N8O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-3-(tetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
PubChem CID91921534
Molecular FormulaC17H24N8O2
Molecular Weight372.43 g/mol
Exact Mass372.20
IUPAC Name1-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESO=C(CCn1cnnn1)N1CC(c2noc(C3CCCN3CC3CC3)n2)C1
InChIInChI=1S/C17H24N8O2/c26-15(5-7-25-11-18-21-22-25)24-9-13(10-24)16-19-17(27-20-16)14-2-1-6-23(14)8-12-3-4-12/h11-14H,1-10H2
InChIKeyFGICTLQMHLQMRO-UHFFFAOYSA-N
XLogP0.62
TPSA106.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-[3-[5-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-methylpropan-1-one
CID 164635213
cyclohex-3-en-1-yl-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone
CID 91921584
5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-propylsulfonylazetidin-3-yl)-1,2,4-oxadiazole
CID 91921544
1-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 56878865
5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-pyridin-3-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazole
CID 91921546
1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 72882886
1-[(4aR,7aS)-1-(cyclopropylmethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-3-(tetrazol-1-yl)propan-1-one
CID 70704976
1-[3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-pyridin-3-ylethanone
CID 91921502
1-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 133118804
1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 95779656
1-[3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 56686215
3-cyclopentyl-1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 110224458

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The IUPAC name of 1-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (CID 91921534) is 1-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-3-(tetrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is O=C(CCn1cnnn1)N1CC(c2noc(C3CCCN3CC3CC3)n2)C1.
What is the InChIKey of 1-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The InChIKey is FGICTLQMHLQMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N8O2/c26-15(5-7-25-11-18-21-22-25)24-9-13(10-24)16-19-17(27-20-16)14-2-1-6-23(14)8-12-3-4-12/h11-14H,1-10H2.
What are the key properties of 1-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
1-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-3-(tetrazol-1-yl)propan-1-one has a molecular weight of 372.43 g/mol, XLogP of 0.62, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is sourced from PubChem (CID 91921534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).