(3-cyclopropyl-1,2-oxazol-5-yl)-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone

C17H23N5O3 — CID 135117274

IUPAC(3-cyclopropyl-1,2-oxazol-5-yl)-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCCc1nnc(CN2CCCN(C(=O)c3cc(C4CC4)no3)CC2)o1
InChIInChI=1S/C17H23N5O3/c1-2-15-18-19-16(24-15)11-21-6-3-7-22(9-8-21)17(23)14-10-13(20-25-14)12-4-5-12/h10,12H,2-9,11H2,1H3
InChIKeyIFSSMXJNOVCWLO-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.85
Rot. Bonds5

About (3-cyclopropyl-1,2-oxazol-5-yl)-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone

(3-cyclopropyl-1,2-oxazol-5-yl)-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone (PubChem CID 135117274) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is (3-cyclopropyl-1,2-oxazol-5-yl)-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-1,2-oxazol-5-yl)-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
PubChem CID135117274
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name(3-cyclopropyl-1,2-oxazol-5-yl)-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCCc1nnc(CN2CCCN(C(=O)c3cc(C4CC4)no3)CC2)o1
InChIInChI=1S/C17H23N5O3/c1-2-15-18-19-16(24-15)11-21-6-3-7-22(9-8-21)17(23)14-10-13(20-25-14)12-4-5-12/h10,12H,2-9,11H2,1H3
InChIKeyIFSSMXJNOVCWLO-UHFFFAOYSA-N
XLogP1.85
TPSA88.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-cyclopropyl-1,2-oxazol-5-yl)-[4-(3-pyrrol-1-ylpropyl)-1,4-diazepan-1-yl]methanone;formic acid
CID 154914039
[3-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
CID 92568102
[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38429477
(3-methyl-1,2-oxazol-5-yl)-[4-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 94021683
[3-[(3R)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 92568123
(3R)-1-[3-[1-(5-ethylthiophene-3-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide
CID 92588753
[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 137334243
1-[4-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,2-oxazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 110229079
2-ethyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 51074717
[3-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 92599802
[3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 92577412
[3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 92570029

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-1,2-oxazol-5-yl)-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone?
The IUPAC name of (3-cyclopropyl-1,2-oxazol-5-yl)-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone (CID 135117274) is (3-cyclopropyl-1,2-oxazol-5-yl)-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (3-cyclopropyl-1,2-oxazol-5-yl)-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (3-cyclopropyl-1,2-oxazol-5-yl)-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone is CCc1nnc(CN2CCCN(C(=O)c3cc(C4CC4)no3)CC2)o1.
What is the InChIKey of (3-cyclopropyl-1,2-oxazol-5-yl)-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone?
The InChIKey is IFSSMXJNOVCWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-2-15-18-19-16(24-15)11-21-6-3-7-22(9-8-21)17(23)14-10-13(20-25-14)12-4-5-12/h10,12H,2-9,11H2,1H3.
What are the key properties of (3-cyclopropyl-1,2-oxazol-5-yl)-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone?
(3-cyclopropyl-1,2-oxazol-5-yl)-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone has a molecular weight of 345.40 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-1,2-oxazol-5-yl)-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 135117274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).