3-(furan-2-yl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide

C23H25N3O4 — CID 10150868

IUPAC3-(furan-2-yl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide
SMILESO=C(CCc1ccco1)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1
InChIInChI=1S/C23H25N3O4/c27-21(11-10-19-5-4-14-29-19)24-15-17-6-8-18(9-7-17)22-25-20(16-30-22)23(28)26-12-2-1-3-13-26/h4-9,14,16H,1-3,10-13,15H2,(H,24,27)
InChIKeyCUUPBCGXTWLBNF-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.81
Rot. Bonds7

About 3-(furan-2-yl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide

3-(furan-2-yl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide (PubChem CID 10150868) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide
PubChem CID10150868
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name3-(furan-2-yl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide
SMILESO=C(CCc1ccco1)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1
InChIInChI=1S/C23H25N3O4/c27-21(11-10-19-5-4-14-29-19)24-15-17-6-8-18(9-7-17)22-25-20(16-30-22)23(28)26-12-2-1-3-13-26/h4-9,14,16H,1-3,10-13,15H2,(H,24,27)
InChIKeyCUUPBCGXTWLBNF-UHFFFAOYSA-N
XLogP3.81
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide?
The IUPAC name of 3-(furan-2-yl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide (CID 10150868) is 3-(furan-2-yl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide?
The canonical SMILES for 3-(furan-2-yl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide is O=C(CCc1ccco1)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1.
What is the InChIKey of 3-(furan-2-yl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide?
The InChIKey is CUUPBCGXTWLBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c27-21(11-10-19-5-4-14-29-19)24-15-17-6-8-18(9-7-17)22-25-20(16-30-22)23(28)26-12-2-1-3-13-26/h4-9,14,16H,1-3,10-13,15H2,(H,24,27).
What are the key properties of 3-(furan-2-yl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide?
3-(furan-2-yl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide has a molecular weight of 407.47 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide is sourced from PubChem (CID 10150868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).