N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide

C16H28N4O2 — CID 91836065

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide
SMILESCc1noc(C)c1CNC(=O)CCC(C)N1CCN(C)CC1
InChIInChI=1S/C16H28N4O2/c1-12(20-9-7-19(4)8-10-20)5-6-16(21)17-11-15-13(2)18-22-14(15)3/h12H,5-11H2,1-4H3,(H,17,21)
InChIKeyQYDVCWNPSUEHLU-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.32
Rot. Bonds6

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide (PubChem CID 91836065) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide
PubChem CID91836065
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide
SMILESCc1noc(C)c1CNC(=O)CCC(C)N1CCN(C)CC1
InChIInChI=1S/C16H28N4O2/c1-12(20-9-7-19(4)8-10-20)5-6-16(21)17-11-15-13(2)18-22-14(15)3/h12H,5-11H2,1-4H3,(H,17,21)
InChIKeyQYDVCWNPSUEHLU-UHFFFAOYSA-N
XLogP1.32
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbutanamide
CID 47861597
4-(2-aminoethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,5-dimethylhexanamide
CID 79231895
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(ethylamino)acetamide
CID 79236491
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 71998190
N-methyl-5-[[[(4R)-4-(4-methylpiperazin-1-yl)pentanoyl]amino]methyl]furan-2-carboxamide
CID 125163780
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide
CID 79235982
4-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-oxopropyl]benzoic acid
CID 119182646
4-(4-methylpiperazin-1-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]pentanamide
CID 91764415
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 75462240
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]propanamide
CID 110117449
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
CID 51126970
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 75462338

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide (CID 91836065) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide is Cc1noc(C)c1CNC(=O)CCC(C)N1CCN(C)CC1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide?
The InChIKey is QYDVCWNPSUEHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-12(20-9-7-19(4)8-10-20)5-6-16(21)17-11-15-13(2)18-22-14(15)3/h12H,5-11H2,1-4H3,(H,17,21).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide has a molecular weight of 308.43 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide is sourced from PubChem (CID 91836065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).