2-ethenyl-5-(phenanthridin-6-ylmethyl)-1,3-oxazole-4-carboxamide

C20H15N3O2 — CID 175812795

IUPAC2-ethenyl-5-(phenanthridin-6-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESC=Cc1nc(C(N)=O)c(Cc2nc3ccccc3c3ccccc23)o1
InChIInChI=1S/C20H15N3O2/c1-2-18-23-19(20(21)24)17(25-18)11-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)22-16/h2-10H,1,11H2,(H2,21,24)
InChIKeyRHXDENOKDFNUCS-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.71
Rot. Bonds4

About 2-ethenyl-5-(phenanthridin-6-ylmethyl)-1,3-oxazole-4-carboxamide

2-ethenyl-5-(phenanthridin-6-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 175812795) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-ethenyl-5-(phenanthridin-6-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-ethenyl-5-(phenanthridin-6-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID175812795
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name2-ethenyl-5-(phenanthridin-6-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESC=Cc1nc(C(N)=O)c(Cc2nc3ccccc3c3ccccc23)o1
InChIInChI=1S/C20H15N3O2/c1-2-18-23-19(20(21)24)17(25-18)11-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)22-16/h2-10H,1,11H2,(H2,21,24)
InChIKeyRHXDENOKDFNUCS-UHFFFAOYSA-N
XLogP3.71
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(benzo[f]quinolin-3-ylmethyl)-2-ethenyl-1,3-oxazole-4-carboxamide
CID 166083848
phenanthridin-6-ylmethylhydrazine
CID 16774020
4-ethylquinazoline-2-carboxamide;dihydrochloride
CID 89487232
2-[4,10-bis[2-(methylamino)-2-oxoethyl]-7-[2-oxo-2-(phenanthridin-6-ylmethylamino)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-methylacetamide;terbium(4+)
CID 140636001
iridium;phenanthridine-6-carboxylic acid
CID 59015465
6-[(4-nitrophenyl)methyl]phenanthridine
CID 154722212
1-(4-methylphenyl)-2-phenanthridin-6-ylethanone
CID 11616575
1,2,3-benzotriazine-4-carboxamide
CID 90188678
phenanthridin-6-ylmethanesulfinate
CID 174989846
phenanthridin-6-ylmethyl-tri(propan-2-yl)silane
CID 122224420
4-ethyl-2-hexa-2,4-dienylquinoline-3-carboxamide
CID 173330243
3-ethenyl-2-(1-hydroxyethenyl)quinoline-4-carbaldehyde
CID 142879408

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-(phenanthridin-6-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-ethenyl-5-(phenanthridin-6-ylmethyl)-1,3-oxazole-4-carboxamide (CID 175812795) is 2-ethenyl-5-(phenanthridin-6-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-ethenyl-5-(phenanthridin-6-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-ethenyl-5-(phenanthridin-6-ylmethyl)-1,3-oxazole-4-carboxamide is C=Cc1nc(C(N)=O)c(Cc2nc3ccccc3c3ccccc23)o1.
What is the InChIKey of 2-ethenyl-5-(phenanthridin-6-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is RHXDENOKDFNUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-2-18-23-19(20(21)24)17(25-18)11-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)22-16/h2-10H,1,11H2,(H2,21,24).
What are the key properties of 2-ethenyl-5-(phenanthridin-6-ylmethyl)-1,3-oxazole-4-carboxamide?
2-ethenyl-5-(phenanthridin-6-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-(phenanthridin-6-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 175812795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).