N-[(2R)-2-(ethylamino)propyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride

C14H21ClN4O3 — CID 120652436

IUPACN-[(2R)-2-(ethylamino)propyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)CCc1nc(-c2ccoc2)no1.Cl
InChIInChI=1S/C14H20N4O3.ClH/c1-3-15-10(2)8-16-12(19)4-5-13-17-14(18-21-13)11-6-7-20-9-11;/h6-7,9-10,15H,3-5,8H2,1-2H3,(H,16,19);1H/t10-;/m1./s1
InChIKeyZCPPBSIPAVVDQP-HNCPQSOCSA-N
MW328.80 g/mol
LogP1.80
Rot. Bonds8

About N-[(2R)-2-(ethylamino)propyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride (PubChem CID 120652436) has the molecular formula C14H21ClN4O3 and a molecular weight of 328.80 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
PubChem CID120652436
Molecular FormulaC14H21ClN4O3
Molecular Weight328.80 g/mol
Exact Mass328.13
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)CCc1nc(-c2ccoc2)no1.Cl
InChIInChI=1S/C14H20N4O3.ClH/c1-3-15-10(2)8-16-12(19)4-5-13-17-14(18-21-13)11-6-7-20-9-11;/h6-7,9-10,15H,3-5,8H2,1-2H3,(H,16,19);1H/t10-;/m1./s1
InChIKeyZCPPBSIPAVVDQP-HNCPQSOCSA-N
XLogP1.80
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid
CID 119225155
3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 111441196
3-[3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120651487
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(methylamino)propyl]propanamide
CID 120828775
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 102602935
3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-piperidin-3-ylethyl)propanamide
CID 119555415
4-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-phenylbutanoic acid
CID 119201031
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 18148189
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pentan-2-ylpropanamide
CID 18092722
N-[(2S)-butan-2-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 41098778
N-(2-phenylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46512546
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
CID 3159509

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride (CID 120652436) is N-[(2R)-2-(ethylamino)propyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride is CCN[C@H](C)CNC(=O)CCc1nc(-c2ccoc2)no1.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride?
The InChIKey is ZCPPBSIPAVVDQP-HNCPQSOCSA-N. The full InChI is InChI=1S/C14H20N4O3.ClH/c1-3-15-10(2)8-16-12(19)4-5-13-17-14(18-21-13)11-6-7-20-9-11;/h6-7,9-10,15H,3-5,8H2,1-2H3,(H,16,19);1H/t10-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride has a molecular weight of 328.80 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride is sourced from PubChem (CID 120652436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).