N,N-dimethyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

C16H26N4O3 — CID 91924616

IUPACN,N-dimethyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCC(C)c1nnc(C2CN(C(=O)N(C)C)CC23CCOCC3)o1
InChIInChI=1S/C16H26N4O3/c1-11(2)13-17-18-14(23-13)12-9-20(15(21)19(3)4)10-16(12)5-7-22-8-6-16/h11-12H,5-10H2,1-4H3
InChIKeyFXYNQSZMZALZSK-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.07
Rot. Bonds2

About N,N-dimethyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

N,N-dimethyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 91924616) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N,N-dimethyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID91924616
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN,N-dimethyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCC(C)c1nnc(C2CN(C(=O)N(C)C)CC23CCOCC3)o1
InChIInChI=1S/C16H26N4O3/c1-11(2)13-17-18-14(23-13)12-9-20(15(21)19(3)4)10-16(12)5-7-22-8-6-16/h11-12H,5-10H2,1-4H3
InChIKeyFXYNQSZMZALZSK-UHFFFAOYSA-N
XLogP2.07
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N,N-dimethyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 91924616) is N,N-dimethyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is CC(C)c1nnc(C2CN(C(=O)N(C)C)CC23CCOCC3)o1.
What is the InChIKey of N,N-dimethyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is FXYNQSZMZALZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-11(2)13-17-18-14(23-13)12-9-20(15(21)19(3)4)10-16(12)5-7-22-8-6-16/h11-12H,5-10H2,1-4H3.
What are the key properties of N,N-dimethyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N,N-dimethyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 91924616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).