N,N,5-trimethyl-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide

C17H25N3O4 — CID 71837841

IUPACN,N,5-trimethyl-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
SMILESCc1oc(C2CCN(C(=O)C3CCCO3)CC2)nc1C(=O)N(C)C
InChIInChI=1S/C17H25N3O4/c1-11-14(17(22)19(2)3)18-15(24-11)12-6-8-20(9-7-12)16(21)13-5-4-10-23-13/h12-13H,4-10H2,1-3H3
InChIKeyHLYMHWVQUQPMKL-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.57
Rot. Bonds3

About N,N,5-trimethyl-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide

N,N,5-trimethyl-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 71837841) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is N,N,5-trimethyl-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,N,5-trimethyl-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
PubChem CID71837841
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC NameN,N,5-trimethyl-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
SMILESCc1oc(C2CCN(C(=O)C3CCCO3)CC2)nc1C(=O)N(C)C
InChIInChI=1S/C17H25N3O4/c1-11-14(17(22)19(2)3)18-15(24-11)12-6-8-20(9-7-12)16(21)13-5-4-10-23-13/h12-13H,4-10H2,1-3H3
InChIKeyHLYMHWVQUQPMKL-UHFFFAOYSA-N
XLogP1.57
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N,5-trimethyl-2-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
CID 71837826
N,N-dimethyl-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 110350799
2-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
CID 53168354
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 91946535
[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110395983
2-methyl-5-[1-(oxane-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110132890
2-methyl-5-[1-[(2S)-oxane-2-carbonyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 124977155
[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 122340192
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 53003963
[(3R)-3-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 143794584
1-[4-[1-(oxolane-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 113003827

Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N,N,5-trimethyl-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide (CID 71837841) is N,N,5-trimethyl-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N,N,5-trimethyl-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N,N,5-trimethyl-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide is Cc1oc(C2CCN(C(=O)C3CCCO3)CC2)nc1C(=O)N(C)C.
What is the InChIKey of N,N,5-trimethyl-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is HLYMHWVQUQPMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-11-14(17(22)19(2)3)18-15(24-11)12-6-8-20(9-7-12)16(21)13-5-4-10-23-13/h12-13H,4-10H2,1-3H3.
What are the key properties of N,N,5-trimethyl-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide?
N,N,5-trimethyl-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71837841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).