N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]-5-propan-2-yl-1,3-benzoxazol-2-amine

C23H29N3O — CID 11726246

IUPACN-[(1R)-1-phenyl-2-piperidin-1-ylethyl]-5-propan-2-yl-1,3-benzoxazol-2-amine
SMILESCC(C)c1ccc2oc(N[C@@H](CN3CCCCC3)c3ccccc3)nc2c1
InChIInChI=1S/C23H29N3O/c1-17(2)19-11-12-22-20(15-19)24-23(27-22)25-21(18-9-5-3-6-10-18)16-26-13-7-4-8-14-26/h3,5-6,9-12,15,17,21H,4,7-8,13-14,16H2,1-2H3,(H,24,25)/t21-/m0/s1
InChIKeyHGTFHVUDPKQOSQ-NRFANRHFSA-N
MW363.51 g/mol
LogP5.59
Rot. Bonds6

About N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]-5-propan-2-yl-1,3-benzoxazol-2-amine

N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]-5-propan-2-yl-1,3-benzoxazol-2-amine (PubChem CID 11726246) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]-5-propan-2-yl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-phenyl-2-piperidin-1-ylethyl]-5-propan-2-yl-1,3-benzoxazol-2-amine
PubChem CID11726246
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC NameN-[(1R)-1-phenyl-2-piperidin-1-ylethyl]-5-propan-2-yl-1,3-benzoxazol-2-amine
SMILESCC(C)c1ccc2oc(N[C@@H](CN3CCCCC3)c3ccccc3)nc2c1
InChIInChI=1S/C23H29N3O/c1-17(2)19-11-12-22-20(15-19)24-23(27-22)25-21(18-9-5-3-6-10-18)16-26-13-7-4-8-14-26/h3,5-6,9-12,15,17,21H,4,7-8,13-14,16H2,1-2H3,(H,24,25)/t21-/m0/s1
InChIKeyHGTFHVUDPKQOSQ-NRFANRHFSA-N
XLogP5.59
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.51
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]-5-propan-2-yl-1,3-benzoxazol-2-amine?
The IUPAC name of N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]-5-propan-2-yl-1,3-benzoxazol-2-amine (CID 11726246) is N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]-5-propan-2-yl-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]-5-propan-2-yl-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]-5-propan-2-yl-1,3-benzoxazol-2-amine is CC(C)c1ccc2oc(N[C@@H](CN3CCCCC3)c3ccccc3)nc2c1.
What is the InChIKey of N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]-5-propan-2-yl-1,3-benzoxazol-2-amine?
The InChIKey is HGTFHVUDPKQOSQ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H29N3O/c1-17(2)19-11-12-22-20(15-19)24-23(27-22)25-21(18-9-5-3-6-10-18)16-26-13-7-4-8-14-26/h3,5-6,9-12,15,17,21H,4,7-8,13-14,16H2,1-2H3,(H,24,25)/t21-/m0/s1.
What are the key properties of N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]-5-propan-2-yl-1,3-benzoxazol-2-amine?
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]-5-propan-2-yl-1,3-benzoxazol-2-amine has a molecular weight of 363.51 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]-5-propan-2-yl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 11726246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).