(3-methyl-1,2-oxazol-5-yl)methyl (3aR)-1,5-dioxo-4-prop-2-enyl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate

C20H19N3O5 — CID 9478625

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl (3aR)-1,5-dioxo-4-prop-2-enyl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
SMILESC=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCc1cc(C)no1
InChIInChI=1S/C20H19N3O5/c1-3-10-22-18(25)15-6-4-5-7-16(15)23-17(24)8-9-20(22,23)19(26)27-12-14-11-13(2)21-28-14/h3-7,11H,1,8-10,12H2,2H3/t20-/m1/s1
InChIKeyZZSCSMCJADNOES-HXUWFJFHSA-N
MW381.39 g/mol
LogP2.19
Rot. Bonds5

About (3-methyl-1,2-oxazol-5-yl)methyl (3aR)-1,5-dioxo-4-prop-2-enyl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate

(3-methyl-1,2-oxazol-5-yl)methyl (3aR)-1,5-dioxo-4-prop-2-enyl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate (PubChem CID 9478625) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl (3aR)-1,5-dioxo-4-prop-2-enyl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl (3aR)-1,5-dioxo-4-prop-2-enyl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
PubChem CID9478625
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl (3aR)-1,5-dioxo-4-prop-2-enyl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
SMILESC=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCc1cc(C)no1
InChIInChI=1S/C20H19N3O5/c1-3-10-22-18(25)15-6-4-5-7-16(15)23-17(24)8-9-20(22,23)19(26)27-12-14-11-13(2)21-28-14/h3-7,11H,1,8-10,12H2,2H3/t20-/m1/s1
InChIKeyZZSCSMCJADNOES-HXUWFJFHSA-N
XLogP2.19
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl (3aR)-1,5-dioxo-4-prop-2-enyl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl (3aR)-1,5-dioxo-4-prop-2-enyl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate (CID 9478625) is (3-methyl-1,2-oxazol-5-yl)methyl (3aR)-1,5-dioxo-4-prop-2-enyl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl (3aR)-1,5-dioxo-4-prop-2-enyl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl (3aR)-1,5-dioxo-4-prop-2-enyl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate is C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCc1cc(C)no1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl (3aR)-1,5-dioxo-4-prop-2-enyl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate?
The InChIKey is ZZSCSMCJADNOES-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-3-10-22-18(25)15-6-4-5-7-16(15)23-17(24)8-9-20(22,23)19(26)27-12-14-11-13(2)21-28-14/h3-7,11H,1,8-10,12H2,2H3/t20-/m1/s1.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl (3aR)-1,5-dioxo-4-prop-2-enyl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate?
(3-methyl-1,2-oxazol-5-yl)methyl (3aR)-1,5-dioxo-4-prop-2-enyl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate has a molecular weight of 381.39 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)methyl (3aR)-1,5-dioxo-4-prop-2-enyl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate is sourced from PubChem (CID 9478625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).