5-(4-methylphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]-1,2-oxazole-3-carboxamide

C25H30N4O3 — CID 51070099

IUPAC5-(4-methylphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(CCC(=O)NCCc3ccccn3)CC(C)C)no2)cc1
InChIInChI=1S/C25H30N4O3/c1-18(2)17-29(15-12-24(30)27-14-11-21-6-4-5-13-26-21)25(31)22-16-23(32-28-22)20-9-7-19(3)8-10-20/h4-10,13,16,18H,11-12,14-15,17H2,1-3H3,(H,27,30)
InChIKeyZPKMBLPBGZSYCU-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.89
Rot. Bonds10

About 5-(4-methylphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]-1,2-oxazole-3-carboxamide

5-(4-methylphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]-1,2-oxazole-3-carboxamide (PubChem CID 51070099) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]-1,2-oxazole-3-carboxamide
PubChem CID51070099
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name5-(4-methylphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(CCC(=O)NCCc3ccccn3)CC(C)C)no2)cc1
InChIInChI=1S/C25H30N4O3/c1-18(2)17-29(15-12-24(30)27-14-11-21-6-4-5-13-26-21)25(31)22-16-23(32-28-22)20-9-7-19(3)8-10-20/h4-10,13,16,18H,11-12,14-15,17H2,1-3H3,(H,27,30)
InChIKeyZPKMBLPBGZSYCU-UHFFFAOYSA-N
XLogP3.89
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide
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5-(3-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-phenoxyethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 46111906
N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]furan-3-carboxamide
CID 4192735
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(2-methylpropyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide
CID 51070802
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-5-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 90488192
N-ethyl-2,5-dimethyl-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]furan-3-carboxamide
CID 3643874
4-methyl-N-(2-methylpropyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 51070311
N-(2-methoxyethyl)-5-methyl-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide
CID 5186435
3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 42786104
5-amino-N-(2-pyridin-2-ylethyl)hexanamide
CID 82848295
N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide
CID 3557301
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]-1,2-oxazole-3-carboxamide (CID 51070099) is 5-(4-methylphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)N(CCC(=O)NCCc3ccccn3)CC(C)C)no2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]-1,2-oxazole-3-carboxamide?
The InChIKey is ZPKMBLPBGZSYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-18(2)17-29(15-12-24(30)27-14-11-21-6-4-5-13-26-21)25(31)22-16-23(32-28-22)20-9-7-19(3)8-10-20/h4-10,13,16,18H,11-12,14-15,17H2,1-3H3,(H,27,30).
What are the key properties of 5-(4-methylphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]-1,2-oxazole-3-carboxamide?
5-(4-methylphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.89, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51070099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).