(2R)-N-(furan-2-ylmethyl)-2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]propanamide

C17H25N5O3 — CID 98765728

IUPAC(2R)-N-(furan-2-ylmethyl)-2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]propanamide
SMILESCc1nc(CN2CCCN([C@H](C)C(=O)NCc3ccco3)CC2)no1
InChIInChI=1S/C17H25N5O3/c1-13(17(23)18-11-15-5-3-10-24-15)22-7-4-6-21(8-9-22)12-16-19-14(2)25-20-16/h3,5,10,13H,4,6-9,11-12H2,1-2H3,(H,18,23)/t13-/m1/s1
InChIKeyYXRQRTXLEVXYRR-CYBMUJFWSA-N
MW347.42 g/mol
LogP1.18
Rot. Bonds6

About (2R)-N-(furan-2-ylmethyl)-2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]propanamide

(2R)-N-(furan-2-ylmethyl)-2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]propanamide (PubChem CID 98765728) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is (2R)-N-(furan-2-ylmethyl)-2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(furan-2-ylmethyl)-2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]propanamide
PubChem CID98765728
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name(2R)-N-(furan-2-ylmethyl)-2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]propanamide
SMILESCc1nc(CN2CCCN([C@H](C)C(=O)NCc3ccco3)CC2)no1
InChIInChI=1S/C17H25N5O3/c1-13(17(23)18-11-15-5-3-10-24-15)22-7-4-6-21(8-9-22)12-16-19-14(2)25-20-16/h3,5,10,13H,4,6-9,11-12H2,1-2H3,(H,18,23)/t13-/m1/s1
InChIKeyYXRQRTXLEVXYRR-CYBMUJFWSA-N
XLogP1.18
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 97277137
N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide
CID 46674028
2-(4-cyclohexylpiperazin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 3824270
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperazin-1-ylpropanamide
CID 106402516
2-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 75464153
(2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 30724914
N-(furan-2-ylmethyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63853927
N-[(1S)-1-(furan-2-yl)ethyl]-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]acetamide
CID 95342775
5-methyl-3-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 97317023
2-(3-formylpiperidin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 62656030
N-(furan-2-ylmethyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773300
N-(furan-2-ylmethyl)-2-(4-methylpyrazol-1-yl)propanamide
CID 19534412

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(furan-2-ylmethyl)-2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]propanamide?
The IUPAC name of (2R)-N-(furan-2-ylmethyl)-2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]propanamide (CID 98765728) is (2R)-N-(furan-2-ylmethyl)-2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(furan-2-ylmethyl)-2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]propanamide?
The canonical SMILES for (2R)-N-(furan-2-ylmethyl)-2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]propanamide is Cc1nc(CN2CCCN([C@H](C)C(=O)NCc3ccco3)CC2)no1.
What is the InChIKey of (2R)-N-(furan-2-ylmethyl)-2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]propanamide?
The InChIKey is YXRQRTXLEVXYRR-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-13(17(23)18-11-15-5-3-10-24-15)22-7-4-6-21(8-9-22)12-16-19-14(2)25-20-16/h3,5,10,13H,4,6-9,11-12H2,1-2H3,(H,18,23)/t13-/m1/s1.
What are the key properties of (2R)-N-(furan-2-ylmethyl)-2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]propanamide?
(2R)-N-(furan-2-ylmethyl)-2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]propanamide has a molecular weight of 347.42 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(furan-2-ylmethyl)-2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]propanamide is sourced from PubChem (CID 98765728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).