N-[4-methyl-1-[[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide

C33H47N5O6 — CID 16718090

IUPACN-[4-methyl-1-[[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)CC(NC(=O)c1cc(CN2CCCC2)on1)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)C1(C)CO1
InChIInChI=1S/C33H47N5O6/c1-21(2)15-25(29(39)33(5)20-43-33)34-31(41)27(17-23-11-7-6-8-12-23)36-30(40)26(16-22(3)4)35-32(42)28-18-24(44-37-28)19-38-13-9-10-14-38/h6-8,11-12,18,21-22,25-27H,9-10,13-17,19-20H2,1-5H3,(H,34,41)(H,35,42)(H,36,40)
InChIKeyAAJCDZIWRDSBLL-UHFFFAOYSA-N
MW609.77 g/mol
LogP3.03
Rot. Bonds16

About N-[4-methyl-1-[[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide

N-[4-methyl-1-[[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 16718090) has the molecular formula C33H47N5O6 and a molecular weight of 609.77 g/mol. Its IUPAC name is N-[4-methyl-1-[[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-1-[[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID16718090
Molecular FormulaC33H47N5O6
Molecular Weight609.77 g/mol
Exact Mass609.35
IUPAC NameN-[4-methyl-1-[[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)CC(NC(=O)c1cc(CN2CCCC2)on1)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)C1(C)CO1
InChIInChI=1S/C33H47N5O6/c1-21(2)15-25(29(39)33(5)20-43-33)34-31(41)27(17-23-11-7-6-8-12-23)36-30(40)26(16-22(3)4)35-32(42)28-18-24(44-37-28)19-38-13-9-10-14-38/h6-8,11-12,18,21-22,25-27H,9-10,13-17,19-20H2,1-5H3,(H,34,41)(H,35,42)(H,36,40)
InChIKeyAAJCDZIWRDSBLL-UHFFFAOYSA-N
XLogP3.03
TPSA146.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500609.77
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N-[4-methyl-1-[[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-[[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-methyl-1-[[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide (CID 16718090) is N-[4-methyl-1-[[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-methyl-1-[[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-methyl-1-[[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide is CC(C)CC(NC(=O)c1cc(CN2CCCC2)on1)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)C1(C)CO1.
What is the InChIKey of N-[4-methyl-1-[[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is AAJCDZIWRDSBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H47N5O6/c1-21(2)15-25(29(39)33(5)20-43-33)34-31(41)27(17-23-11-7-6-8-12-23)36-30(40)26(16-22(3)4)35-32(42)28-18-24(44-37-28)19-38-13-9-10-14-38/h6-8,11-12,18,21-22,25-27H,9-10,13-17,19-20H2,1-5H3,(H,34,41)(H,35,42)(H,36,40).
What are the key properties of N-[4-methyl-1-[[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide?
N-[4-methyl-1-[[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 609.77 g/mol, XLogP of 3.03, 16 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-[[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 16718090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).