N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide

C15H27N5O2 — CID 71990256

IUPACN-[2-[methyl(propan-2-yl)amino]ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
SMILESCC(C)N(C)CCNC(=O)N1CCN(Cc2ccon2)CC1
InChIInChI=1S/C15H27N5O2/c1-13(2)18(3)6-5-16-15(21)20-9-7-19(8-10-20)12-14-4-11-22-17-14/h4,11,13H,5-10,12H2,1-3H3,(H,16,21)
InChIKeyXIFOLFISWUZWLH-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.84
Rot. Bonds6

About N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide

N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 71990256) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[methyl(propan-2-yl)amino]ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
PubChem CID71990256
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC NameN-[2-[methyl(propan-2-yl)amino]ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
SMILESCC(C)N(C)CCNC(=O)N1CCN(Cc2ccon2)CC1
InChIInChI=1S/C15H27N5O2/c1-13(2)18(3)6-5-16-15(21)20-9-7-19(8-10-20)12-14-4-11-22-17-14/h4,11,13H,5-10,12H2,1-3H3,(H,16,21)
InChIKeyXIFOLFISWUZWLH-UHFFFAOYSA-N
XLogP0.84
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(cyclohexylmethyl)-3-oxo-2-piperazinyl]-N-(3-isoxazolylmethyl)-N-methylacetamide
CID 16192260
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CID 16187563
(2S)-2-[3-methyl-1-(1,2-oxazol-3-ylmethyl)-2,6-dioxo-5H-purin-7-ium-7-yl]propanamide
CID 139269386
Methyl(1,2-oxazol-3-ylmethyl)amine
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1-(1,2-Oxazol-3-ylmethyl)piperazine
CID 4914503
3-(1-Cyclopropylpiperidin-4-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 51084123
N-methyl-2-[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]piperidin-1-yl]acetamide
CID 53498056
N-[2-[cyclopropyl(methyl)amino]propyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71868342
N-[2-(1-methylpiperidin-4-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71868350
N-[(1-methylpiperidin-3-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71985669
N-[2-[cyclopentyl(methyl)amino]ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 72116467
N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide (CID 71990256) is N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide is CC(C)N(C)CCNC(=O)N1CCN(Cc2ccon2)CC1.
What is the InChIKey of N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is XIFOLFISWUZWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-13(2)18(3)6-5-16-15(21)20-9-7-19(8-10-20)12-14-4-11-22-17-14/h4,11,13H,5-10,12H2,1-3H3,(H,16,21).
What are the key properties of N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 71990256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).