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

C15H21N3O4 — CID 94797390

IUPAC3-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(=O)[C@H]3CCCO3)CC2)on1
InChIInChI=1S/C15H21N3O4/c1-10-9-13(22-17-10)14(19)16-11-4-6-18(7-5-11)15(20)12-3-2-8-21-12/h9,11-12H,2-8H2,1H3,(H,16,19)/t12-/m1/s1
InChIKeyQNNHJFYSTYVWBW-GFCCVEGCSA-N
MW307.35 g/mol
LogP0.88
Rot. Bonds3

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

3-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide (PubChem CID 94797390) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
PubChem CID94797390
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name3-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(=O)[C@H]3CCCO3)CC2)on1
InChIInChI=1S/C15H21N3O4/c1-10-9-13(22-17-10)14(19)16-11-4-6-18(7-5-11)15(20)12-3-2-8-21-12/h9,11-12H,2-8H2,1H3,(H,16,19)/t12-/m1/s1
InChIKeyQNNHJFYSTYVWBW-GFCCVEGCSA-N
XLogP0.88
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

3-methyl-N-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexyl]-1,2-oxazole-5-carboxamide
CID 127423482
3-methyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819733
[1-(oxolane-2-carbonyl)piperidin-4-yl]carbamic acid
CID 156534121
N-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 47089070
2-chloro-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819750
1-cyclopentyl-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]urea
CID 110819796
[4-[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55666666
1-cyclohexyl-3-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]urea
CID 51092058
[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 56778579
3-cyano-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819738
2-(3,4-dimethoxyphenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]acetamide
CID 108558758
N'-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 119131911

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide (CID 94797390) is 3-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NC2CCN(C(=O)[C@H]3CCCO3)CC2)on1.
What is the InChIKey of 3-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is QNNHJFYSTYVWBW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-10-9-13(22-17-10)14(19)16-11-4-6-18(7-5-11)15(20)12-3-2-8-21-12/h9,11-12H,2-8H2,1H3,(H,16,19)/t12-/m1/s1.
What are the key properties of 3-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 94797390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).