N-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide

C17H28N4O3 — CID 138006458

IUPACN-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide
SMILESCN(C)Cc1nc(CNC(=O)N2CCOCC3(CCCC3)C2)co1
InChIInChI=1S/C17H28N4O3/c1-20(2)10-15-19-14(11-24-15)9-18-16(22)21-7-8-23-13-17(12-21)5-3-4-6-17/h11H,3-10,12-13H2,1-2H3,(H,18,22)
InChIKeyCLYCENVIDNYRMB-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.84
Rot. Bonds4

About N-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide

N-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide (PubChem CID 138006458) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide
PubChem CID138006458
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide
SMILESCN(C)Cc1nc(CNC(=O)N2CCOCC3(CCCC3)C2)co1
InChIInChI=1S/C17H28N4O3/c1-20(2)10-15-19-14(11-24-15)9-18-16(22)21-7-8-23-13-17(12-21)5-3-4-6-17/h11H,3-10,12-13H2,1-2H3,(H,18,22)
InChIKeyCLYCENVIDNYRMB-UHFFFAOYSA-N
XLogP1.84
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea
CID 138047569
N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide
CID 128687065
N-(3-methyl-1,2,4-oxadiazol-5-yl)-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide
CID 167857522
N-[(2,2-dimethylcyclopropyl)methyl]-2-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 128608682
N-benzyl-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
CID 131644499
N-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]-5-oxa-8-azaspiro[2.6]nonane-8-carboxamide
CID 128683883
N-(2,2-diethylbutyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
CID 86788762
(5R)-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 124620773
6,6-difluoro-N-[(4-methyl-2-pyridinyl)methyl]-1,4-oxazepane-4-carboxamide
CID 136547260
[(3R,4S)-4-[(3-methylimidazol-4-yl)methylamino]-1,1-dioxothiolan-3-yl]-(6-oxa-9-azaspiro[3.6]decan-9-yl)methanone
CID 166433103
[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone
CID 119043710
(6R)-N,N-dimethyl-11-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
CID 97494944

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide?
The IUPAC name of N-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide (CID 138006458) is N-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide is CN(C)Cc1nc(CNC(=O)N2CCOCC3(CCCC3)C2)co1.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide?
The InChIKey is CLYCENVIDNYRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-20(2)10-15-19-14(11-24-15)9-18-16(22)21-7-8-23-13-17(12-21)5-3-4-6-17/h11H,3-10,12-13H2,1-2H3,(H,18,22).
What are the key properties of N-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide?
N-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide is sourced from PubChem (CID 138006458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).