[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride

C15H26Cl2N4O3 — CID 119877152

IUPAC[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
SMILESCc1nc(CN2CCN(C(=O)C3CNCCO3)CC2)oc1C.Cl.Cl
InChIInChI=1S/C15H24N4O3.2ClH/c1-11-12(2)22-14(17-11)10-18-4-6-19(7-5-18)15(20)13-9-16-3-8-21-13;;/h13,16H,3-10H2,1-2H3;2*1H
InChIKeyGKDBNONBEBUPEU-UHFFFAOYSA-N
MW381.30 g/mol
LogP0.77
Rot. Bonds3

About [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride

[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride (PubChem CID 119877152) has the molecular formula C15H26Cl2N4O3 and a molecular weight of 381.30 g/mol. Its IUPAC name is [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
PubChem CID119877152
Molecular FormulaC15H26Cl2N4O3
Molecular Weight381.30 g/mol
Exact Mass380.14
IUPAC Name[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
SMILESCc1nc(CN2CCN(C(=O)C3CNCCO3)CC2)oc1C.Cl.Cl
InChIInChI=1S/C15H24N4O3.2ClH/c1-11-12(2)22-14(17-11)10-18-4-6-19(7-5-18)15(20)13-9-16-3-8-21-13;;/h13,16H,3-10H2,1-2H3;2*1H
InChIKeyGKDBNONBEBUPEU-UHFFFAOYSA-N
XLogP0.77
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride with MolForge

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Related Compounds

[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 124697297
[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119896150
[4-(2-methoxyethyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119838568
[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 119894256
morpholin-2-yl-(4-propyl-1,4-diazepan-1-yl)methanone
CID 131911390
[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-2-ylmethanone
CID 119839942
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 119893646
morpholin-2-yl(piperidin-1-yl)methanone;hydrochloride
CID 71298615
2-[4-(morpholine-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone;dihydrochloride
CID 119837297
[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119745412
[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 124695444
2-[4-(morpholine-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 119834280

Frequently Asked Questions

What is the IUPAC name of [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride?
The IUPAC name of [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride (CID 119877152) is [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride.
What is the SMILES notation for [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride?
The canonical SMILES for [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride is Cc1nc(CN2CCN(C(=O)C3CNCCO3)CC2)oc1C.Cl.Cl.
What is the InChIKey of [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride?
The InChIKey is GKDBNONBEBUPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3.2ClH/c1-11-12(2)22-14(17-11)10-18-4-6-19(7-5-18)15(20)13-9-16-3-8-21-13;;/h13,16H,3-10H2,1-2H3;2*1H.
What are the key properties of [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride?
[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride has a molecular weight of 381.30 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride is sourced from PubChem (CID 119877152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).