N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]oxolane-2-carboxamide;hydrochloride

C18H23ClN4O3 — CID 120852128

IUPACN-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]oxolane-2-carboxamide;hydrochloride
SMILESCl.NC1(c2noc(-c3cccc(NC(=O)C4CCCO4)c3)n2)CCCC1
InChIInChI=1S/C18H22N4O3.ClH/c19-18(8-1-2-9-18)17-21-16(25-22-17)12-5-3-6-13(11-12)20-15(23)14-7-4-10-24-14;/h3,5-6,11,14H,1-2,4,7-10,19H2,(H,20,23);1H
InChIKeyRPTWNRJFCJGANY-UHFFFAOYSA-N
MW378.86 g/mol
LogP3.00
Rot. Bonds4

About N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]oxolane-2-carboxamide;hydrochloride

N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]oxolane-2-carboxamide;hydrochloride (PubChem CID 120852128) has the molecular formula C18H23ClN4O3 and a molecular weight of 378.86 g/mol. Its IUPAC name is N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]oxolane-2-carboxamide;hydrochloride
PubChem CID120852128
Molecular FormulaC18H23ClN4O3
Molecular Weight378.86 g/mol
Exact Mass378.15
IUPAC NameN-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]oxolane-2-carboxamide;hydrochloride
SMILESCl.NC1(c2noc(-c3cccc(NC(=O)C4CCCO4)c3)n2)CCCC1
InChIInChI=1S/C18H22N4O3.ClH/c19-18(8-1-2-9-18)17-21-16(25-22-17)12-5-3-6-13(11-12)20-15(23)14-7-4-10-24-14;/h3,5-6,11,14H,1-2,4,7-10,19H2,(H,20,23);1H
InChIKeyRPTWNRJFCJGANY-UHFFFAOYSA-N
XLogP3.00
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]oxolane-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]oxolane-2-carboxamide
CID 45153659
N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-2-carboxamide
CID 2961612
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[3-[3-(5-bromo-1H-indol-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]oxolane-2-carboxamide
CID 166273225
(2R)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]oxolane-2-carboxamide
CID 27234711
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide
CID 2976279
(2S)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide
CID 7379449
(2R)-N-[3-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide
CID 38324677
(2S)-N-[3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]oxolane-2-carboxamide
CID 9323003
5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
CID 120852858
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
N-(3-iodophenyl)oxolane-2-carboxamide
CID 42904469

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]oxolane-2-carboxamide;hydrochloride (CID 120852128) is N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]oxolane-2-carboxamide;hydrochloride is Cl.NC1(c2noc(-c3cccc(NC(=O)C4CCCO4)c3)n2)CCCC1.
What is the InChIKey of N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is RPTWNRJFCJGANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3.ClH/c19-18(8-1-2-9-18)17-21-16(25-22-17)12-5-3-6-13(11-12)20-15(23)14-7-4-10-24-14;/h3,5-6,11,14H,1-2,4,7-10,19H2,(H,20,23);1H.
What are the key properties of N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]oxolane-2-carboxamide;hydrochloride?
N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 378.86 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120852128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).