N-(2-hydroxypropyl)-N-methyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide

C22H30N4O3 — CID 56760039

IUPACN-(2-hydroxypropyl)-N-methyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESCC(O)CN(C)C(=O)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1
InChIInChI=1S/C22H30N4O3/c1-18(27)15-24(2)22(28)20-17-29-21(23-20)16-26-13-11-25(12-14-26)10-6-9-19-7-4-3-5-8-19/h3-9,17-18,27H,10-16H2,1-2H3/b9-6+
InChIKeyDHRVZNFYMAAGNM-RMKNXTFCSA-N
MW398.51 g/mol
LogP1.96
Rot. Bonds8

About N-(2-hydroxypropyl)-N-methyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide

N-(2-hydroxypropyl)-N-methyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 56760039) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID56760039
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-(2-hydroxypropyl)-N-methyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESCC(O)CN(C)C(=O)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1
InChIInChI=1S/C22H30N4O3/c1-18(27)15-24(2)22(28)20-17-29-21(23-20)16-26-13-11-25(12-14-26)10-6-9-19-7-4-3-5-8-19/h3-9,17-18,27H,10-16H2,1-2H3/b9-6+
InChIKeyDHRVZNFYMAAGNM-RMKNXTFCSA-N
XLogP1.96
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 29028952
1-[(3R)-1-[2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidin-3-yl]ethanone
CID 28954966
1-[(3S)-1-[2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidin-3-yl]ethanone
CID 28954968
(2R)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol
CID 95322641
N-benzyl-N-methyl-2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42856415
3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one
CID 71393433
1-benzyl-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 171151283
[2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 1199109
N-(3-methylbutyl)-N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide
CID 113122869
N-(cyclopropylmethyl)-N-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide
CID 56702419
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 108992859
N-(2-methylpropyl)-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108983973

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide (CID 56760039) is N-(2-hydroxypropyl)-N-methyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide is CC(O)CN(C)C(=O)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1.
What is the InChIKey of N-(2-hydroxypropyl)-N-methyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is DHRVZNFYMAAGNM-RMKNXTFCSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-18(27)15-24(2)22(28)20-17-29-21(23-20)16-26-13-11-25(12-14-26)10-6-9-19-7-4-3-5-8-19/h3-9,17-18,27H,10-16H2,1-2H3/b9-6+.
What are the key properties of N-(2-hydroxypropyl)-N-methyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
N-(2-hydroxypropyl)-N-methyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56760039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).