N,N-dimethyl-3-phenanthren-9-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

C20H18N2O2 — CID 59051472

IUPACN,N-dimethyl-3-phenanthren-9-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCN(C)C(=O)C1CC(c2cc3ccccc3c3ccccc23)=NO1
InChIInChI=1S/C20H18N2O2/c1-22(2)20(23)19-12-18(21-24-19)17-11-13-7-3-4-8-14(13)15-9-5-6-10-16(15)17/h3-11,19H,12H2,1-2H3
InChIKeyQOBLQGQOFUZUAG-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.57
Rot. Bonds2

About N,N-dimethyl-3-phenanthren-9-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

N,N-dimethyl-3-phenanthren-9-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 59051472) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N,N-dimethyl-3-phenanthren-9-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-phenanthren-9-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID59051472
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN,N-dimethyl-3-phenanthren-9-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCN(C)C(=O)C1CC(c2cc3ccccc3c3ccccc23)=NO1
InChIInChI=1S/C20H18N2O2/c1-22(2)20(23)19-12-18(21-24-19)17-11-13-7-3-4-8-14(13)15-9-5-6-10-16(15)17/h3-11,19H,12H2,1-2H3
InChIKeyQOBLQGQOFUZUAG-UHFFFAOYSA-N
XLogP3.57
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-phenanthren-9-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N,N-dimethyl-3-phenanthren-9-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 59051472) is N,N-dimethyl-3-phenanthren-9-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-phenanthren-9-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N,N-dimethyl-3-phenanthren-9-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is CN(C)C(=O)C1CC(c2cc3ccccc3c3ccccc23)=NO1.
What is the InChIKey of N,N-dimethyl-3-phenanthren-9-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is QOBLQGQOFUZUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-22(2)20(23)19-12-18(21-24-19)17-11-13-7-3-4-8-14(13)15-9-5-6-10-16(15)17/h3-11,19H,12H2,1-2H3.
What are the key properties of N,N-dimethyl-3-phenanthren-9-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N,N-dimethyl-3-phenanthren-9-yl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-phenanthren-9-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 59051472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).