2-methyl-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]oxolane-2-carboxamide

C24H32N2O4 — CID 123615842

IUPAC2-methyl-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]oxolane-2-carboxamide
SMILESCCC(=O)CCCCCC(NC(=O)C1(C)CCCO1)c1ncc(-c2ccccc2)o1
InChIInChI=1S/C24H32N2O4/c1-3-19(27)13-8-5-9-14-20(26-23(28)24(2)15-10-16-29-24)22-25-17-21(30-22)18-11-6-4-7-12-18/h4,6-7,11-12,17,20H,3,5,8-10,13-16H2,1-2H3,(H,26,28)
InChIKeyVDYAEXPFNQETBU-UHFFFAOYSA-N
MW412.53 g/mol
LogP5.00
Rot. Bonds11

About 2-methyl-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]oxolane-2-carboxamide

2-methyl-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]oxolane-2-carboxamide (PubChem CID 123615842) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is 2-methyl-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]oxolane-2-carboxamide
PubChem CID123615842
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name2-methyl-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]oxolane-2-carboxamide
SMILESCCC(=O)CCCCCC(NC(=O)C1(C)CCCO1)c1ncc(-c2ccccc2)o1
InChIInChI=1S/C24H32N2O4/c1-3-19(27)13-8-5-9-14-20(26-23(28)24(2)15-10-16-29-24)22-25-17-21(30-22)18-11-6-4-7-12-18/h4,6-7,11-12,17,20H,3,5,8-10,13-16H2,1-2H3,(H,26,28)
InChIKeyVDYAEXPFNQETBU-UHFFFAOYSA-N
XLogP5.00
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]-1H-indole-6-carboxamide
CID 73058110
2-chloro-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]pyridine-4-carboxamide
CID 118275081
2-methyl-N-[(1S)-1-[5-[4-(1-methylpyrazol-3-yl)phenyl]-1H-imidazol-2-yl]-7-oxononyl]oxolane-2-carboxamide
CID 158712798
3-(2-ethylbenzimidazol-1-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]propanamide
CID 73053736
N-[(1S)-1-(5-isoquinolin-7-yl-1H-imidazol-2-yl)-7-oxononyl]-2-methyloxolane-2-carboxamide
CID 147998160
dimethyl-[2-methyl-1-[[(1S)-1-(5-naphthalen-2-yl-1,3-oxazol-2-yl)-7-oxononyl]amino]-1-oxopropan-2-yl]azanium;2,2,2-trifluoroacetate
CID 87331646
1-methyl-N-[(1S)-1-[5-[4-(2-methylpyrazol-3-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]azetidine-3-carboxamide
CID 90071003
1-methyl-N-[(1S)-7-oxo-1-[5-(2-oxo-1H-quinolin-3-yl)-1,3-oxazol-2-yl]nonyl]azetidine-3-carboxamide
CID 73054597
2-(dimethylamino)-2-methyl-N-[(1S)-1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]propanamide
CID 73057534
(2S)-N-[(1S)-1-(5-bromo-1,3-oxazol-2-yl)-7-oxononyl]spiro[2.5]octane-2-carboxamide
CID 165057202
1-methyl-N-[1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]piperidine-4-carboxamide
CID 118275137
N-[1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-1,3-thiazole-5-carboxamide
CID 118275139

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]oxolane-2-carboxamide?
The IUPAC name of 2-methyl-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]oxolane-2-carboxamide (CID 123615842) is 2-methyl-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]oxolane-2-carboxamide.
What is the SMILES notation for 2-methyl-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]oxolane-2-carboxamide?
The canonical SMILES for 2-methyl-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]oxolane-2-carboxamide is CCC(=O)CCCCCC(NC(=O)C1(C)CCCO1)c1ncc(-c2ccccc2)o1.
What is the InChIKey of 2-methyl-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]oxolane-2-carboxamide?
The InChIKey is VDYAEXPFNQETBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-3-19(27)13-8-5-9-14-20(26-23(28)24(2)15-10-16-29-24)22-25-17-21(30-22)18-11-6-4-7-12-18/h4,6-7,11-12,17,20H,3,5,8-10,13-16H2,1-2H3,(H,26,28).
What are the key properties of 2-methyl-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]oxolane-2-carboxamide?
2-methyl-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]oxolane-2-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 5.00, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]oxolane-2-carboxamide is sourced from PubChem (CID 123615842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).