2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide

C22H40N4O4 — CID 46051415

IUPAC2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide
SMILESCCCN(CCC)C(=O)c1coc(CN2CCN(CC(O)COCC(C)C)CC2)n1
InChIInChI=1S/C22H40N4O4/c1-5-7-26(8-6-2)22(28)20-17-30-21(23-20)14-25-11-9-24(10-12-25)13-19(27)16-29-15-18(3)4/h17-19,27H,5-16H2,1-4H3
InChIKeyBIYAMHVPDNTARH-UHFFFAOYSA-N
MW424.59 g/mol
LogP2.09
Rot. Bonds13

About 2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide

2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide (PubChem CID 46051415) has the molecular formula C22H40N4O4 and a molecular weight of 424.59 g/mol. Its IUPAC name is 2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide
PubChem CID46051415
Molecular FormulaC22H40N4O4
Molecular Weight424.59 g/mol
Exact Mass424.30
IUPAC Name2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide
SMILESCCCN(CCC)C(=O)c1coc(CN2CCN(CC(O)COCC(C)C)CC2)n1
InChIInChI=1S/C22H40N4O4/c1-5-7-26(8-6-2)22(28)20-17-30-21(23-20)14-25-11-9-24(10-12-25)13-19(27)16-29-15-18(3)4/h17-19,27H,5-16H2,1-4H3
InChIKeyBIYAMHVPDNTARH-UHFFFAOYSA-N
XLogP2.09
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chlorophenyl)-2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051363
N-cyclohexyl-2-[[4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986258
2-[[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methyl]-N-(2-methylbutyl)-1,3-oxazole-4-carboxamide
CID 46051304
[4-(4-fluorophenyl)piperazin-1-yl]-[2-[[4-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 92986639
2-[[4-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]piperazin-1-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 92986286
N-(3-fluoro-4-methylphenyl)-2-[[4-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986434
[2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 42856039
2-[[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methyl]-N-[(2S)-2-methylbutyl]-1,3-oxazole-4-carboxamide
CID 92986370
2-[[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
CID 92986413
N-(4-chlorophenyl)-2-[[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986508
N-(cyclopropylmethyl)-2-[[4-[(2S)-2-hydroxyhexyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986405
N-(3,4-dimethylphenyl)-2-[[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051266

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide (CID 46051415) is 2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide is CCCN(CCC)C(=O)c1coc(CN2CCN(CC(O)COCC(C)C)CC2)n1.
What is the InChIKey of 2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide?
The InChIKey is BIYAMHVPDNTARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N4O4/c1-5-7-26(8-6-2)22(28)20-17-30-21(23-20)14-25-11-9-24(10-12-25)13-19(27)16-29-15-18(3)4/h17-19,27H,5-16H2,1-4H3.
What are the key properties of 2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide?
2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide has a molecular weight of 424.59 g/mol, XLogP of 2.09, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46051415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).