N-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride

C15H23Cl2N3O2S — CID 120652186

IUPACN-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
SMILESCCN[C@H](C)CNC(=O)Cc1nc(-c2cccs2)oc1C.Cl.Cl
InChIInChI=1S/C15H21N3O2S.2ClH/c1-4-16-10(2)9-17-14(19)8-12-11(3)20-15(18-12)13-6-5-7-21-13;;/h5-7,10,16H,4,8-9H2,1-3H3,(H,17,19);2*1H/t10-;;/m1../s1
InChIKeyXTCWNYMMDKOVSP-YQFADDPSSA-N
MW380.34 g/mol
LogP3.21
Rot. Bonds7

About N-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride

N-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride (PubChem CID 120652186) has the molecular formula C15H23Cl2N3O2S and a molecular weight of 380.34 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
PubChem CID120652186
Molecular FormulaC15H23Cl2N3O2S
Molecular Weight380.34 g/mol
Exact Mass379.09
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
SMILESCCN[C@H](C)CNC(=O)Cc1nc(-c2cccs2)oc1C.Cl.Cl
InChIInChI=1S/C15H21N3O2S.2ClH/c1-4-16-10(2)9-17-14(19)8-12-11(3)20-15(18-12)13-6-5-7-21-13;;/h5-7,10,16H,4,8-9H2,1-3H3,(H,17,19);2*1H/t10-;;/m1../s1
InChIKeyXTCWNYMMDKOVSP-YQFADDPSSA-N
XLogP3.21
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(2-aminoethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
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CID 110415415
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CID 119616911
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2-chloro-N-[2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride (CID 120652186) is N-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride is CCN[C@H](C)CNC(=O)Cc1nc(-c2cccs2)oc1C.Cl.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride?
The InChIKey is XTCWNYMMDKOVSP-YQFADDPSSA-N. The full InChI is InChI=1S/C15H21N3O2S.2ClH/c1-4-16-10(2)9-17-14(19)8-12-11(3)20-15(18-12)13-6-5-7-21-13;;/h5-7,10,16H,4,8-9H2,1-3H3,(H,17,19);2*1H/t10-;;/m1../s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride?
N-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride has a molecular weight of 380.34 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120652186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).