N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide

C20H26N2O3 — CID 136564104

IUPACN-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide
SMILESCCC(CC)c1cc(CNC(=O)C2(c3ccccc3)CCCO2)on1
InChIInChI=1S/C20H26N2O3/c1-3-15(4-2)18-13-17(25-22-18)14-21-19(23)20(11-8-12-24-20)16-9-6-5-7-10-16/h5-7,9-10,13,15H,3-4,8,11-12,14H2,1-2H3,(H,21,23)
InChIKeyBCVZHEASAWZABL-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.90
Rot. Bonds7

About N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide

N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide (PubChem CID 136564104) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide
PubChem CID136564104
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide
SMILESCCC(CC)c1cc(CNC(=O)C2(c3ccccc3)CCCO2)on1
InChIInChI=1S/C20H26N2O3/c1-3-15(4-2)18-13-17(25-22-18)14-21-19(23)20(11-8-12-24-20)16-9-6-5-7-10-16/h5-7,9-10,13,15H,3-4,8,11-12,14H2,1-2H3,(H,21,23)
InChIKeyBCVZHEASAWZABL-UHFFFAOYSA-N
XLogP3.90
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 71994479
2-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]oxolane-2-carboxamide
CID 119068809
2-methyl-1-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 111676412
3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylcarbamoylamino]propanoic acid
CID 122003771
4-methoxy-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 119804378
1-(2-hydroxyethyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 111474136
4-(aminomethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]benzamide
CID 119335443
1-(2-chloro-3-pyridinyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 71989228
N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide
CID 136565347
2-[[ethylamino-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111675587
methyl 2-phenyloxolane-2-carboxylate
CID 164680656
methyl (2R)-2-phenyloxolane-2-carboxylate
CID 167251855

Frequently Asked Questions

What is the IUPAC name of N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide?
The IUPAC name of N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide (CID 136564104) is N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide.
What is the SMILES notation for N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide?
The canonical SMILES for N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide is CCC(CC)c1cc(CNC(=O)C2(c3ccccc3)CCCO2)on1.
What is the InChIKey of N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide?
The InChIKey is BCVZHEASAWZABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-3-15(4-2)18-13-17(25-22-18)14-21-19(23)20(11-8-12-24-20)16-9-6-5-7-10-16/h5-7,9-10,13,15H,3-4,8,11-12,14H2,1-2H3,(H,21,23).
What are the key properties of N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide?
N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide is sourced from PubChem (CID 136564104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).