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

C25H29N3O4 — CID 46023666

IUPACN-(oxolan-2-ylmethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)CC1CCCO1
InChIInChI=1S/C25H29N3O4/c29-24(22-12-8-16-31-22)28(17-20-11-7-15-30-20)18-21-23(19-9-3-1-4-10-19)26-32-25(21)27-13-5-2-6-14-27/h1,3-4,8-10,12,16,20H,2,5-7,11,13-15,17-18H2
InChIKeyBKOXGMJSFBBPCU-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.75
Rot. Bonds7

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

N-(oxolan-2-ylmethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide (PubChem CID 46023666) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide
PubChem CID46023666
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC NameN-(oxolan-2-ylmethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)CC1CCCO1
InChIInChI=1S/C25H29N3O4/c29-24(22-12-8-16-31-22)28(17-20-11-7-15-30-20)18-21-23(19-9-3-1-4-10-19)26-32-25(21)27-13-5-2-6-14-27/h1,3-4,8-10,12,16,20H,2,5-7,11,13-15,17-18H2
InChIKeyBKOXGMJSFBBPCU-UHFFFAOYSA-N
XLogP4.75
TPSA71.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 93207843
4-chloro-N-(oxolan-2-ylmethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 46023678
N-[[(2S)-oxolan-2-yl]methyl]-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide
CID 93207861
N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 42682736
N-benzyl-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide
CID 46150971
N-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 93136410
4-fluoro-N-(furan-2-ylmethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 46153491
N-[(1-benzylimidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 42818587
N-benzyl-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide
CID 46015005
4-methyl-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46028612
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzenesulfonamide
CID 93207909
4-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93223098

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide (CID 46023666) is N-(oxolan-2-ylmethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide is O=C(c1ccco1)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)CC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide?
The InChIKey is BKOXGMJSFBBPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c29-24(22-12-8-16-31-22)28(17-20-11-7-15-30-20)18-21-23(19-9-3-1-4-10-19)26-32-25(21)27-13-5-2-6-14-27/h1,3-4,8-10,12,16,20H,2,5-7,11,13-15,17-18H2.
What are the key properties of N-(oxolan-2-ylmethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide?
N-(oxolan-2-ylmethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide has a molecular weight of 435.52 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 46023666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).