N-[[1-[[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]pyrrol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide

C30H39N5O5 — CID 4590268

IUPACN-[[1-[[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]pyrrol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCCOc1ccccc1N1CCN(C(=O)c2coc(Cn3cccc3CN(CC3CCCO3)C(=O)CC)n2)CC1
InChIInChI=1S/C30H39N5O5/c1-3-29(36)35(20-24-10-8-18-39-24)19-23-9-7-13-34(23)21-28-31-25(22-40-28)30(37)33-16-14-32(15-17-33)26-11-5-6-12-27(26)38-4-2/h5-7,9,11-13,22,24H,3-4,8,10,14-21H2,1-2H3
InChIKeyUWFANZGTZNOPJK-UHFFFAOYSA-N
MW549.67 g/mol
LogP3.80
Rot. Bonds11

About N-[[1-[[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]pyrrol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide

N-[[1-[[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]pyrrol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 4590268) has the molecular formula C30H39N5O5 and a molecular weight of 549.67 g/mol. Its IUPAC name is N-[[1-[[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]pyrrol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[[1-[[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]pyrrol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID4590268
Molecular FormulaC30H39N5O5
Molecular Weight549.67 g/mol
Exact Mass549.30
IUPAC NameN-[[1-[[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]pyrrol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCCOc1ccccc1N1CCN(C(=O)c2coc(Cn3cccc3CN(CC3CCCO3)C(=O)CC)n2)CC1
InChIInChI=1S/C30H39N5O5/c1-3-29(36)35(20-24-10-8-18-39-24)19-23-9-7-13-34(23)21-28-31-25(22-40-28)30(37)33-16-14-32(15-17-33)26-11-5-6-12-27(26)38-4-2/h5-7,9,11-13,22,24H,3-4,8,10,14-21H2,1-2H3
InChIKeyUWFANZGTZNOPJK-UHFFFAOYSA-N
XLogP3.80
TPSA93.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.67
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[[1-[[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]pyrrol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide with MolForge

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Related Compounds

N-(2-methylpropyl)-2-[[2-[[[(2S)-oxolan-2-yl]methyl-propanoylamino]methyl]pyrrol-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 7301666
2-[[2-[[oxolan-2-ylmethyl(propanoyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide
CID 42787300
2-chloro-N-[[1-[[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylbenzamide
CID 4692272
4-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105584
N-[[1-[[5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-4-fluoro-N-propylbenzamide
CID 3883280
N-[[1-[[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylpropanamide
CID 42787049
[4-(2-ethoxyphenyl)piperazin-1-yl]-[2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazol-4-yl]methanone
CID 1199147
N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 42819265
2-[(4-benzylpiperazin-1-yl)methyl]-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 45190486
[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]methanone
CID 109114845
[4-(2-ethoxyphenyl)piperazin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone
CID 74250244
N-[(1-benzylimidazol-2-yl)methyl]-2-methoxy-N-(oxolan-2-ylmethyl)acetamide
CID 24712506

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]pyrrol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of N-[[1-[[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]pyrrol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide (CID 4590268) is N-[[1-[[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]pyrrol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for N-[[1-[[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]pyrrol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for N-[[1-[[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]pyrrol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide is CCOc1ccccc1N1CCN(C(=O)c2coc(Cn3cccc3CN(CC3CCCO3)C(=O)CC)n2)CC1.
What is the InChIKey of N-[[1-[[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]pyrrol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is UWFANZGTZNOPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5O5/c1-3-29(36)35(20-24-10-8-18-39-24)19-23-9-7-13-34(23)21-28-31-25(22-40-28)30(37)33-16-14-32(15-17-33)26-11-5-6-12-27(26)38-4-2/h5-7,9,11-13,22,24H,3-4,8,10,14-21H2,1-2H3.
What are the key properties of N-[[1-[[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]pyrrol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide?
N-[[1-[[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]pyrrol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 549.67 g/mol, XLogP of 3.80, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]pyrrol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 4590268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).