2-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide

C18H25N3O3 — CID 56721697

IUPAC2-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCC2CCCN(Cc3ccco3)C2)o1
InChIInChI=1S/C18H25N3O3/c1-3-16-20-13(2)17(24-16)18(22)19-10-14-6-4-8-21(11-14)12-15-7-5-9-23-15/h5,7,9,14H,3-4,6,8,10-12H2,1-2H3,(H,19,22)
InChIKeyAAFHWBCTNFHVKR-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.78
Rot. Bonds6

About 2-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide

2-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 56721697) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID56721697
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCC2CCCN(Cc3ccco3)C2)o1
InChIInChI=1S/C18H25N3O3/c1-3-16-20-13(2)17(24-16)18(22)19-10-14-6-4-8-21(11-14)12-15-7-5-9-23-15/h5,7,9,14H,3-4,6,8,10-12H2,1-2H3,(H,19,22)
InChIKeyAAFHWBCTNFHVKR-UHFFFAOYSA-N
XLogP2.78
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Ethyl-4-{[{[2-(2-furyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)amino]methyl}pyrrolidin-2-one
CID 16188209
5-(3,5-Dimethylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
CID 2963490
1-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(2-furylmethyl)piperidine-4-carboxamide
CID 3242398
2-(4-fluorophenyl)-N-[(2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-2-yl]-4-propyl-1,3-oxazole-5-carboxamide
CID 16069004
N-(2-furylmethyl)-1-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}piperidine-4-carboxamide
CID 3237752
N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 17441980
N-[2-(dimethylamino)-2-methylpropyl]-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 53552545
2-[2-(Furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(4-propylpiperazin-1-yl)ethanone
CID 53569263
N,N-diethyl-3-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]propanamide
CID 53569870
3-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]-N-propylpropanamide
CID 53569937
N,N-diethyl-4-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]butanamide
CID 53576943
N-ethyl-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 53579326

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide (CID 56721697) is 2-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)NCC2CCCN(Cc3ccco3)C2)o1.
What is the InChIKey of 2-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is AAFHWBCTNFHVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-3-16-20-13(2)17(24-16)18(22)19-10-14-6-4-8-21(11-14)12-15-7-5-9-23-15/h5,7,9,14H,3-4,6,8,10-12H2,1-2H3,(H,19,22).
What are the key properties of 2-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide?
2-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 56721697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).