5-phenyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide

C27H27N3O3 — CID 66989615

IUPAC5-phenyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide
SMILESO=C(NCC1CCN(Cc2cc(-c3ccccc3)no2)CC1)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C27H27N3O3/c31-27(26-12-11-25(32-26)22-9-5-2-6-10-22)28-18-20-13-15-30(16-14-20)19-23-17-24(29-33-23)21-7-3-1-4-8-21/h1-12,17,20H,13-16,18-19H2,(H,28,31)
InChIKeyNHRNVKWSVSGOJN-UHFFFAOYSA-N
MW441.53 g/mol
LogP5.24
Rot. Bonds7

About 5-phenyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide

5-phenyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide (PubChem CID 66989615) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is 5-phenyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide
PubChem CID66989615
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name5-phenyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide
SMILESO=C(NCC1CCN(Cc2cc(-c3ccccc3)no2)CC1)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C27H27N3O3/c31-27(26-12-11-25(32-26)22-9-5-2-6-10-22)28-18-20-13-15-30(16-14-20)19-23-17-24(29-33-23)21-7-3-1-4-8-21/h1-12,17,20H,13-16,18-19H2,(H,28,31)
InChIKeyNHRNVKWSVSGOJN-UHFFFAOYSA-N
XLogP5.24
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-phenyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]-2-pyridin-3-ylacetamide
CID 131913778
2-methyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]-1,3-benzothiazole-5-carboxamide
CID 70876612
2-amino-6-ethoxy-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-4-carboxamide
CID 58504202
2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]acetyl chloride
CID 58504285
4-amino-5-cyano-6-ethoxy-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 46836252
4-cyano-5-ethoxy-2-nitro-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]benzamide
CID 58503963
N-[(1-cyanopyrrolidin-3-yl)methyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 129246891
N-(3-ethoxypropyl)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 55663692
1-(3,4-dichlorophenyl)-3-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]propan-1-one
CID 58504172
methyl 6-oxo-4-phenyl-2-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]isoquinoline-3-carboxylate
CID 67425764
5-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropyl-1,2-oxazole-3-carboxamide
CID 25448460
N-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 95254448

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide?
The IUPAC name of 5-phenyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide (CID 66989615) is 5-phenyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-phenyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-phenyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide is O=C(NCC1CCN(Cc2cc(-c3ccccc3)no2)CC1)c1ccc(-c2ccccc2)o1.
What is the InChIKey of 5-phenyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide?
The InChIKey is NHRNVKWSVSGOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c31-27(26-12-11-25(32-26)22-9-5-2-6-10-22)28-18-20-13-15-30(16-14-20)19-23-17-24(29-33-23)21-7-3-1-4-8-21/h1-12,17,20H,13-16,18-19H2,(H,28,31).
What are the key properties of 5-phenyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide?
5-phenyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 66989615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).