5-cyclopropyl-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide

C24H27N3O3 — CID 86841100

IUPAC5-cyclopropyl-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCN1CCC(N(Cc2ccco2)C(=O)c2nc(-c3ccccc3)oc2C2CC2)CC1
InChIInChI=1S/C24H27N3O3/c1-26-13-11-19(12-14-26)27(16-20-8-5-15-29-20)24(28)21-22(17-9-10-17)30-23(25-21)18-6-3-2-4-7-18/h2-8,15,17,19H,9-14,16H2,1H3
InChIKeyXEQWNNGOBJUEFJ-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.55
Rot. Bonds6

About 5-cyclopropyl-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide

5-cyclopropyl-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 86841100) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 5-cyclopropyl-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID86841100
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name5-cyclopropyl-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCN1CCC(N(Cc2ccco2)C(=O)c2nc(-c3ccccc3)oc2C2CC2)CC1
InChIInChI=1S/C24H27N3O3/c1-26-13-11-19(12-14-26)27(16-20-8-5-15-29-20)24(28)21-22(17-9-10-17)30-23(25-21)18-6-3-2-4-7-18/h2-8,15,17,19H,9-14,16H2,1H3
InChIKeyXEQWNNGOBJUEFJ-UHFFFAOYSA-N
XLogP4.55
TPSA62.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide (CID 86841100) is 5-cyclopropyl-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide is CN1CCC(N(Cc2ccco2)C(=O)c2nc(-c3ccccc3)oc2C2CC2)CC1.
What is the InChIKey of 5-cyclopropyl-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is XEQWNNGOBJUEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-26-13-11-19(12-14-26)27(16-20-8-5-15-29-20)24(28)21-22(17-9-10-17)30-23(25-21)18-6-3-2-4-7-18/h2-8,15,17,19H,9-14,16H2,1H3.
What are the key properties of 5-cyclopropyl-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide?
5-cyclopropyl-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 86841100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).