N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide

C17H27N3O3 — CID 71931761

IUPACN-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESCc1nc(CN2CCC(CNC(=O)C3CCOC3)CC2)oc1C
InChIInChI=1S/C17H27N3O3/c1-12-13(2)23-16(19-12)10-20-6-3-14(4-7-20)9-18-17(21)15-5-8-22-11-15/h14-15H,3-11H2,1-2H3,(H,18,21)
InChIKeyNBBCAVOTEKVIJY-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.66
Rot. Bonds5

About N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide

N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide (PubChem CID 71931761) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
PubChem CID71931761
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESCc1nc(CN2CCC(CNC(=O)C3CCOC3)CC2)oc1C
InChIInChI=1S/C17H27N3O3/c1-12-13(2)23-16(19-12)10-20-6-3-14(4-7-20)9-18-17(21)15-5-8-22-11-15/h14-15H,3-11H2,1-2H3,(H,18,21)
InChIKeyNBBCAVOTEKVIJY-UHFFFAOYSA-N
XLogP1.66
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide (CID 71931761) is N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide is Cc1nc(CN2CCC(CNC(=O)C3CCOC3)CC2)oc1C.
What is the InChIKey of N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
The InChIKey is NBBCAVOTEKVIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-12-13(2)23-16(19-12)10-20-6-3-14(4-7-20)9-18-17(21)15-5-8-22-11-15/h14-15H,3-11H2,1-2H3,(H,18,21).
What are the key properties of N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 71931761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).