4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide

C18H24N4O3 — CID 78857796

IUPAC4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide
SMILESCc1cc(CN2CCN(C(=O)NC3CCCc4occc43)CC2)on1
InChIInChI=1S/C18H24N4O3/c1-13-11-14(25-20-13)12-21-6-8-22(9-7-21)18(23)19-16-3-2-4-17-15(16)5-10-24-17/h5,10-11,16H,2-4,6-9,12H2,1H3,(H,19,23)
InChIKeyYDQOPOUAWHAIHX-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.48
Rot. Bonds3

About 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide

4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide (PubChem CID 78857796) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide
PubChem CID78857796
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide
SMILESCc1cc(CN2CCN(C(=O)NC3CCCc4occc43)CC2)on1
InChIInChI=1S/C18H24N4O3/c1-13-11-14(25-20-13)12-21-6-8-22(9-7-21)18(23)19-16-3-2-4-17-15(16)5-10-24-17/h5,10-11,16H,2-4,6-9,12H2,1H3,(H,19,23)
InChIKeyYDQOPOUAWHAIHX-UHFFFAOYSA-N
XLogP2.48
TPSA74.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(1-benzylpiperidin-3-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
CID 87007645
4-[2-(2-ethylanilino)-2-oxoethyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide
CID 42954695
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 47125438
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide
CID 94099552
[(2R,3S)-2-ethyloxan-3-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 129492691
(1-methylcyclopentyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 134039040
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
CID 99830316
2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 127883238
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 51269605
4-(1,2-oxazol-3-ylmethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-1-carboxamide
CID 95907905
N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
CID 129370880
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
CID 95134326

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide (CID 78857796) is 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide is Cc1cc(CN2CCN(C(=O)NC3CCCc4occc43)CC2)on1.
What is the InChIKey of 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide?
The InChIKey is YDQOPOUAWHAIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13-11-14(25-20-13)12-21-6-8-22(9-7-21)18(23)19-16-3-2-4-17-15(16)5-10-24-17/h5,10-11,16H,2-4,6-9,12H2,1H3,(H,19,23).
What are the key properties of 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide?
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 78857796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).