N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

C22H23N3O4 — CID 71796785

IUPACN-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCN(C(=O)c2cc3ccccc3o2)CC1)c1cc(C2CC2)on1
InChIInChI=1S/C22H23N3O4/c26-21(17-12-19(29-24-17)15-5-6-15)23-13-14-7-9-25(10-8-14)22(27)20-11-16-3-1-2-4-18(16)28-20/h1-4,11-12,14-15H,5-10,13H2,(H,23,26)
InChIKeyLQWODZHUSGCMBU-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.58
Rot. Bonds5

About N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 71796785) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID71796785
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCN(C(=O)c2cc3ccccc3o2)CC1)c1cc(C2CC2)on1
InChIInChI=1S/C22H23N3O4/c26-21(17-12-19(29-24-17)15-5-6-15)23-13-14-7-9-25(10-8-14)22(27)20-11-16-3-1-2-4-18(16)28-20/h1-4,11-12,14-15H,5-10,13H2,(H,23,26)
InChIKeyLQWODZHUSGCMBU-UHFFFAOYSA-N
XLogP3.58
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248546
N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 94221459
1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone
CID 55188193
5-cyclopropyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 119041616
N-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 71804264
N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 97414306
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone
CID 62063378
1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263992
2-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126865130
[4-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]piperidin-1-yl]-3-methyl-4-oxobutan-2-yl]carbamic acid
CID 118948589
5-cyclopropyl-N-phenylmethoxy-1,2-oxazole-3-carboxamide
CID 32581167
5-cyclopropyl-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 100682683

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 71796785) is N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is O=C(NCC1CCN(C(=O)c2cc3ccccc3o2)CC1)c1cc(C2CC2)on1.
What is the InChIKey of N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is LQWODZHUSGCMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c26-21(17-12-19(29-24-17)15-5-6-15)23-13-14-7-9-25(10-8-14)22(27)20-11-16-3-1-2-4-18(16)28-20/h1-4,11-12,14-15H,5-10,13H2,(H,23,26).
What are the key properties of N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71796785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).