N-[(3R,4S)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide;hydrochloride

C18H29ClN4O3 — CID 154899606

IUPACN-[(3R,4S)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide;hydrochloride
SMILESCOCCc1noc(CN2C[C@H](NC(=O)C3CCC3)[C@@H](C3CC3)C2)n1.Cl
InChIInChI=1S/C18H28N4O3.ClH/c1-24-8-7-16-20-17(25-21-16)11-22-9-14(12-5-6-12)15(10-22)19-18(23)13-3-2-4-13;/h12-15H,2-11H2,1H3,(H,19,23);1H/t14-,15+;/m1./s1
InChIKeyDNVJHPOMDXMODJ-LIOBNPLQSA-N
MW384.91 g/mol
LogP1.81
Rot. Bonds8

About N-[(3R,4S)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide;hydrochloride

N-[(3R,4S)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide;hydrochloride (PubChem CID 154899606) has the molecular formula C18H29ClN4O3 and a molecular weight of 384.91 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide;hydrochloride
PubChem CID154899606
Molecular FormulaC18H29ClN4O3
Molecular Weight384.91 g/mol
Exact Mass384.19
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide;hydrochloride
SMILESCOCCc1noc(CN2C[C@H](NC(=O)C3CCC3)[C@@H](C3CC3)C2)n1.Cl
InChIInChI=1S/C18H28N4O3.ClH/c1-24-8-7-16-20-17(25-21-16)11-22-9-14(12-5-6-12)15(10-22)19-18(23)13-3-2-4-13;/h12-15H,2-11H2,1H3,(H,19,23);1H/t14-,15+;/m1./s1
InChIKeyDNVJHPOMDXMODJ-LIOBNPLQSA-N
XLogP1.81
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3R,4S)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide;hydrochloride?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide;hydrochloride (CID 154899606) is N-[(3R,4S)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide;hydrochloride.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide;hydrochloride?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide;hydrochloride is COCCc1noc(CN2C[C@H](NC(=O)C3CCC3)[C@@H](C3CC3)C2)n1.Cl.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide;hydrochloride?
The InChIKey is DNVJHPOMDXMODJ-LIOBNPLQSA-N. The full InChI is InChI=1S/C18H28N4O3.ClH/c1-24-8-7-16-20-17(25-21-16)11-22-9-14(12-5-6-12)15(10-22)19-18(23)13-3-2-4-13;/h12-15H,2-11H2,1H3,(H,19,23);1H/t14-,15+;/m1./s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide;hydrochloride?
N-[(3R,4S)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide;hydrochloride has a molecular weight of 384.91 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide;hydrochloride is sourced from PubChem (CID 154899606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).