(2R)-N-(2-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide

C28H26ClN3O3 — CID 95083556

IUPAC(2R)-N-(2-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccccc1Cl)C1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1
InChIInChI=1S/C28H26ClN3O3/c1-18(26(33)30-23-10-6-5-9-22(23)29)19-13-15-32(16-14-19)28(34)21-11-12-25-24(17-21)31-27(35-25)20-7-3-2-4-8-20/h2-12,17-19H,13-16H2,1H3,(H,30,33)/t18-/m1/s1
InChIKeyHCSRKWRLTDSSFG-GOSISDBHSA-N
MW487.99 g/mol
LogP6.28
Rot. Bonds5

About (2R)-N-(2-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide

(2R)-N-(2-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide (PubChem CID 95083556) has the molecular formula C28H26ClN3O3 and a molecular weight of 487.99 g/mol. Its IUPAC name is (2R)-N-(2-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide
PubChem CID95083556
Molecular FormulaC28H26ClN3O3
Molecular Weight487.99 g/mol
Exact Mass487.17
IUPAC Name(2R)-N-(2-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccccc1Cl)C1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1
InChIInChI=1S/C28H26ClN3O3/c1-18(26(33)30-23-10-6-5-9-22(23)29)19-13-15-32(16-14-19)28(34)21-11-12-25-24(17-21)31-27(35-25)20-7-3-2-4-8-20/h2-12,17-19H,13-16H2,1H3,(H,30,33)/t18-/m1/s1
InChIKeyHCSRKWRLTDSSFG-GOSISDBHSA-N
XLogP6.28
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.99
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of (2R)-N-(2-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide (CID 95083556) is (2R)-N-(2-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for (2R)-N-(2-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for (2R)-N-(2-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide is C[C@@H](C(=O)Nc1ccccc1Cl)C1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1.
What is the InChIKey of (2R)-N-(2-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is HCSRKWRLTDSSFG-GOSISDBHSA-N. The full InChI is InChI=1S/C28H26ClN3O3/c1-18(26(33)30-23-10-6-5-9-22(23)29)19-13-15-32(16-14-19)28(34)21-11-12-25-24(17-21)31-27(35-25)20-7-3-2-4-8-20/h2-12,17-19H,13-16H2,1H3,(H,30,33)/t18-/m1/s1.
What are the key properties of (2R)-N-(2-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide?
(2R)-N-(2-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 487.99 g/mol, XLogP of 6.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 95083556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).