N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

C18H31N3O2 — CID 100840039

IUPACN-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1
InChIInChI=1S/C18H31N3O2/c1-11(2)17-16(15(6)20-23-17)18(22)19-14(5)10-21-8-12(3)7-13(4)9-21/h11-14H,7-10H2,1-6H3,(H,19,22)/t12-,13-,14-/m1/s1
InChIKeySGECJZIECLHGFB-MGPQQGTHSA-N
MW321.47 g/mol
LogP3.20
Rot. Bonds5

About N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 100840039) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID100840039
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC NameN-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1
InChIInChI=1S/C18H31N3O2/c1-11(2)17-16(15(6)20-23-17)18(22)19-14(5)10-21-8-12(3)7-13(4)9-21/h11-14H,7-10H2,1-6H3,(H,19,22)/t12-,13-,14-/m1/s1
InChIKeySGECJZIECLHGFB-MGPQQGTHSA-N
XLogP3.20
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 100840039) is N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1.
What is the InChIKey of N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is SGECJZIECLHGFB-MGPQQGTHSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-11(2)17-16(15(6)20-23-17)18(22)19-14(5)10-21-8-12(3)7-13(4)9-21/h11-14H,7-10H2,1-6H3,(H,19,22)/t12-,13-,14-/m1/s1.
What are the key properties of N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 321.47 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 100840039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).