(1-phenylcyclopropyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone

C23H29N3O3 — CID 91912371

IUPAC(1-phenylcyclopropyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCC(C)c1nnc(C2CN(C(=O)C3(c4ccccc4)CC3)CC23CCOCC3)o1
InChIInChI=1S/C23H29N3O3/c1-16(2)19-24-25-20(29-19)18-14-26(15-22(18)10-12-28-13-11-22)21(27)23(8-9-23)17-6-4-3-5-7-17/h3-7,16,18H,8-15H2,1-2H3
InChIKeyJRMSIPHKQQLRBX-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.65
Rot. Bonds4

About (1-phenylcyclopropyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone

(1-phenylcyclopropyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (PubChem CID 91912371) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is (1-phenylcyclopropyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(1-phenylcyclopropyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
PubChem CID91912371
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name(1-phenylcyclopropyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCC(C)c1nnc(C2CN(C(=O)C3(c4ccccc4)CC3)CC23CCOCC3)o1
InChIInChI=1S/C23H29N3O3/c1-16(2)19-24-25-20(29-19)18-14-26(15-22(18)10-12-28-13-11-22)21(27)23(8-9-23)17-6-4-3-5-7-17/h3-7,16,18H,8-15H2,1-2H3
InChIKeyJRMSIPHKQQLRBX-UHFFFAOYSA-N
XLogP3.65
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-phenylcyclopropyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (1-phenylcyclopropyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (CID 91912371) is (1-phenylcyclopropyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (1-phenylcyclopropyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (1-phenylcyclopropyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone is CC(C)c1nnc(C2CN(C(=O)C3(c4ccccc4)CC3)CC23CCOCC3)o1.
What is the InChIKey of (1-phenylcyclopropyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The InChIKey is JRMSIPHKQQLRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-16(2)19-24-25-20(29-19)18-14-26(15-22(18)10-12-28-13-11-22)21(27)23(8-9-23)17-6-4-3-5-7-17/h3-7,16,18H,8-15H2,1-2H3.
What are the key properties of (1-phenylcyclopropyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
(1-phenylcyclopropyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone has a molecular weight of 395.50 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylcyclopropyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 91912371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).