N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide

C25H27N3O2 — CID 25310154

IUPACN-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCN(C(=O)c1cc(-c2ccccc2)on1)[C@H]1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C25H27N3O2/c1-27(25(29)23-16-24(30-26-23)18-8-3-2-4-9-18)21-12-7-13-28(17-21)22-14-19-10-5-6-11-20(19)15-22/h2-6,8-11,16,21-22H,7,12-15,17H2,1H3/t21-/m0/s1
InChIKeyOBAZFKGFCJDEJY-NRFANRHFSA-N
MW401.51 g/mol
LogP4.05
Rot. Bonds4

About N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide

N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 25310154) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID25310154
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCN(C(=O)c1cc(-c2ccccc2)on1)[C@H]1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C25H27N3O2/c1-27(25(29)23-16-24(30-26-23)18-8-3-2-4-9-18)21-12-7-13-28(17-21)22-14-19-10-5-6-11-20(19)15-22/h2-6,8-11,16,21-22H,7,12-15,17H2,1H3/t21-/m0/s1
InChIKeyOBAZFKGFCJDEJY-NRFANRHFSA-N
XLogP4.05
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide (CID 25310154) is N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide is CN(C(=O)c1cc(-c2ccccc2)on1)[C@H]1CCCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is OBAZFKGFCJDEJY-NRFANRHFSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-27(25(29)23-16-24(30-26-23)18-8-3-2-4-9-18)21-12-7-13-28(17-21)22-14-19-10-5-6-11-20(19)15-22/h2-6,8-11,16,21-22H,7,12-15,17H2,1H3/t21-/m0/s1.
What are the key properties of N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide?
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25310154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).