5-cyclopropyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide

C21H27N3O2 — CID 45182054

IUPAC5-cyclopropyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CCCN(CCCc2ccccc2)C1)c1ncoc1C1CC1
InChIInChI=1S/C21H27N3O2/c25-21(19-20(17-10-11-17)26-15-22-19)23-18-9-5-13-24(14-18)12-4-8-16-6-2-1-3-7-16/h1-3,6-7,15,17-18H,4-5,8-14H2,(H,23,25)
InChIKeyFSBFNXYUNLDASJ-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.38
Rot. Bonds7

About 5-cyclopropyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide

5-cyclopropyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide (PubChem CID 45182054) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide
PubChem CID45182054
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name5-cyclopropyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CCCN(CCCc2ccccc2)C1)c1ncoc1C1CC1
InChIInChI=1S/C21H27N3O2/c25-21(19-20(17-10-11-17)26-15-22-19)23-18-9-5-13-24(14-18)12-4-8-16-6-2-1-3-7-16/h1-3,6-7,15,17-18H,4-5,8-14H2,(H,23,25)
InChIKeyFSBFNXYUNLDASJ-UHFFFAOYSA-N
XLogP3.38
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide (CID 45182054) is 5-cyclopropyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide is O=C(NC1CCCN(CCCc2ccccc2)C1)c1ncoc1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is FSBFNXYUNLDASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c25-21(19-20(17-10-11-17)26-15-22-19)23-18-9-5-13-24(14-18)12-4-8-16-6-2-1-3-7-16/h1-3,6-7,15,17-18H,4-5,8-14H2,(H,23,25).
What are the key properties of 5-cyclopropyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide?
5-cyclopropyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 45182054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).