(3S)-3-ethyl-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,4-diazepan-2-one

C14H18N4O3 — CID 136585921

IUPAC(3S)-3-ethyl-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,4-diazepan-2-one
SMILESCC[C@H]1C(=O)NCCCN1Cc1nnc(-c2ccco2)o1
InChIInChI=1S/C14H18N4O3/c1-2-10-13(19)15-6-4-7-18(10)9-12-16-17-14(21-12)11-5-3-8-20-11/h3,5,8,10H,2,4,6-7,9H2,1H3,(H,15,19)/t10-/m0/s1
InChIKeyXRQWNOORTUOCMJ-JTQLQIEISA-N
MW290.32 g/mol
LogP1.43
Rot. Bonds4

About (3S)-3-ethyl-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,4-diazepan-2-one

(3S)-3-ethyl-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,4-diazepan-2-one (PubChem CID 136585921) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is (3S)-3-ethyl-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,4-diazepan-2-one.

Molecular Properties

Compound Name(3S)-3-ethyl-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,4-diazepan-2-one
PubChem CID136585921
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name(3S)-3-ethyl-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,4-diazepan-2-one
SMILESCC[C@H]1C(=O)NCCCN1Cc1nnc(-c2ccco2)o1
InChIInChI=1S/C14H18N4O3/c1-2-10-13(19)15-6-4-7-18(10)9-12-16-17-14(21-12)11-5-3-8-20-11/h3,5,8,10H,2,4,6-7,9H2,1H3,(H,15,19)/t10-/m0/s1
InChIKeyXRQWNOORTUOCMJ-JTQLQIEISA-N
XLogP1.43
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-3-ethyl-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,4-diazepan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-2-[(2S)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95307882
ethyl 1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylate
CID 62026673
2-(furan-2-yl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole
CID 43090469
2-(furan-2-yl)-5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95899798
2-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 48966203
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 95354195
1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylazepan-4-ol
CID 107408294
2-(furan-2-yl)-5-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 128989795
(1R,5R)-6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 72899290
2-(furan-2-yl)-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 53497956
(2S,5S)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenylmorpholine
CID 95182210
1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpiperidine-4-carboxamide
CID 134046339

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,4-diazepan-2-one?
The IUPAC name of (3S)-3-ethyl-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,4-diazepan-2-one (CID 136585921) is (3S)-3-ethyl-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,4-diazepan-2-one.
What is the SMILES notation for (3S)-3-ethyl-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,4-diazepan-2-one?
The canonical SMILES for (3S)-3-ethyl-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,4-diazepan-2-one is CC[C@H]1C(=O)NCCCN1Cc1nnc(-c2ccco2)o1.
What is the InChIKey of (3S)-3-ethyl-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,4-diazepan-2-one?
The InChIKey is XRQWNOORTUOCMJ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N4O3/c1-2-10-13(19)15-6-4-7-18(10)9-12-16-17-14(21-12)11-5-3-8-20-11/h3,5,8,10H,2,4,6-7,9H2,1H3,(H,15,19)/t10-/m0/s1.
What are the key properties of (3S)-3-ethyl-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,4-diazepan-2-one?
(3S)-3-ethyl-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,4-diazepan-2-one has a molecular weight of 290.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,4-diazepan-2-one is sourced from PubChem (CID 136585921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).